SCHEMBL9583254

SCHEMBL9583254

CNC(N)(Cc1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.51
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
KIF11 P52732 2/20 0.44
KCNH2 Q12809 1/20 0.44
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTT P42858 2/20 0.42
SLC6A2 P23975 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MMP1 P03956 2/20 0.41
MMP13 P45452 2/20 0.41
MMP9 P14780 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PLAU P00749 1/20 0.40
ELANE P08246 1/20 0.40
MEN1 O00255 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL9582712 0.98 LTA4H (0.50) LTA4HRAB9ANPC1KIF11KCNH2
SCHEMBL9001666 0.85 LMNA (0.53) KIF11LMNACYP2D6SLC6A2TAAR1
Hydrochloric Acid SCHEMBL9001665 0.83 LMNA (0.52) KIF11LMNACYP2D6SLC6A2TAAR1
Hydrochloric Acid SCHEMBL9582771 0.83 LMNA (0.52) KIF11LMNACYP2D6SLC6A2TAAR1
SCHEMBL10565232 0.82 KIF11 (0.49) RAB9ANPC1KIF11LMNACYP2D6
Hydrochloric Acid SCHEMBL9582360 0.81 KIF11 (0.48) RAB9ANPC1KIF11LMNACYP2D6
SCHEMBL9583362 0.81 KIF11 (0.48) RAB9ANPC1KIF11KCNH2LMNA
SCHEMBL9583586 0.81 KIF11 (0.43) RAB9ANPC1KIF11LMNACYP2D6
SCHEMBL17964410 0.80 LTA4H (0.53) LTA4HRAB9ANPC1KIF11KCNH2
SCHEMBL5305755 0.79 LTA4H (0.52) LTA4HRAB9ANPC1KIF11KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4822914-A 2-amino-N-methyl-α-phenyl-phenethylamines HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-04-18 US claimed
US-5260339-A 4-phenyl-1,3-benzodiazepines and 2-amino-α-phenylphenethylamines for treating convulsions and protecting neurons HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-11-09 US disclosed
US-5185465-A Carboxamides of 2-amino-alpha-phenlphenethylamines HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-02-09 US disclosed
US-4968721-A 2-amino-alpha-phenylphenethylamines and method of use HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-11-06 US disclosed
US-4933493-A Intermediates for the preparation of 4-phenyl-1,3-benzodiazepines HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-06-12 US disclosed
US-4855502-A CHEMICAL INTERMEDIATES FOR 1,3-BENZODIAZEPINES HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-08-08 US disclosed
US-4822914-A 2-amino-N-methyl-α-phenyl-phenethylamines HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-04-18 US disclosed
US-RE32444-E Process for preparing 4-phenyl-1,3-benzodiazepines HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1987-06-23 US disclosed
US-4504680-A 4-Phenyl-1,3-benzodiazepines HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-03-12 US disclosed
US-4469889-A 2-(2-Nitrophenyl)-1-phenylethanone oxime acetates HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) 1984-09-04 US disclosed
US-4462933-A Process for preparing 4-phenyl-1,3-benzodiazepines HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) 1984-07-31 US disclosed
US-4459231-A Process for preparing 4-phenyl-1,3-benzodiazepines HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) 1984-07-10 US disclosed
US-4459230-A Process for preparing 4-phenyl-1,3-benzodiazepines HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) 1984-07-10 US disclosed
US-4409145-A OXIMINATION, ESTERIFICATION, REDUCTION HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1983-10-11 US disclosed
EP-0009800-B1 4-PHENYL-1,3-BENZODIAZEPINES, METHOD FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THE COMPOUNDS FOR USE AS MEDICAMENTS HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-23 EP disclosed
US-4309424-A 4-Phenyl-1,3-benzodiazepines HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1982-01-05 US disclosed
EP-0009800-A2 4-Phenyl-1,3-benzodiazepines, method for their preparation, pharmaceutical compositions containing them, and the compounds for use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1980-04-16 EP disclosed