SCHEMBL9583299

SCHEMBL9583299

COc1ccc(C2Cc3ccccc3N=C(C)N2C)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
PTAFR P25105 1/20 0.40
BCHE P06276 1/20 0.39
MAPK1 P28482 1/20 0.39

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 SCHEMBL9582372 0.99 MAOB (0.42) MAOBRAB9AATML3MBTL1SMN1; SMN2
SCHEMBL9582499 0.85 RAB9A (0.40) MAOBRAB9AATML3MBTL1SMN1; SMN2
SCHEMBL9582495 0.84 ALDH1A1 (0.41) MAOBRAB9AATML3MBTL1SMN1; SMN2
SCHEMBL11266015 0.80 MAOA (0.43) MAOBRAB9AKMT2ABCHE
Dazepinil SCHEMBL499286 0.80 CHRNB2 (0.40) MAOBKMT2AKDM4E
SCHEMBL9583364 0.80 SLC6A2 (0.38) MAOB
SCHEMBL9583277 0.80 CYP3A4 (0.41) MAOBKMT2AKDM4E
SCHEMBL8945898 0.79 CYP19A1 (0.35) MAOBL3MBTL1KMT2A
Dazepinil SCHEMBL121402 0.79 CHRNB2 (0.39) MAOBKMT2AKDM4E
SCHEMBL11282542 0.78 MAOB (0.44) MAOBRAB9AL3MBTL1MAPTKMT2A

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-4309424-A 4-Phenyl-1,3-benzodiazepines HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1982-01-05 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