SCHEMBL9583277

SCHEMBL9583277

COc1cc2c(cc1OC)N=C(C)N(C)C(c1ccccc1)C2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAOB P27338 4/20 0.40
MAOA P21397 3/20 0.40
TRPV1 Q8NER1 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CHRNA7 P36544 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL9582648 0.84 CYP3A4 (0.39) CYP3A4CYP2D6MAOBMAOATRPV1
SCHEMBL9582587 0.84 SLC6A2 (0.43) MEN1KMT2A
SCHEMBL9582784 0.84 SLC6A2 (0.43) MAOBMAOAMEN1KMT2A
SCHEMBL9583299 0.80 MAOB (0.42) MAOBKMT2AKDM4E
Dazepinil SCHEMBL499286 0.79 CHRNB2 (0.40) CYP2D6MAOBMAOAMEN1KMT2A
Hydrochloric Acid SCHEMBL9582372 0.79 MAOB (0.42) MAOBKMT2AKDM4E
SCHEMBL9582843 0.78 MAOA (0.42) MAOBMAOA
SCHEMBL9582361 0.78 MAOB (0.42) MAOBMAOA
SCHEMBL9582495 0.75 ALDH1A1 (0.41) MAOBMAOAMEN1KMT2AKDM4E
SCHEMBL8945898 0.73 CYP19A1 (0.35) CYP2D6MAOBMAOAMEN1KMT2A

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 15 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-4459230-A Process for preparing 4-phenyl-1,3-benzodiazepines HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) 1984-07-10 US disclosed
US-4459231-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
US-4309424-A 4-Phenyl-1,3-benzodiazepines HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1982-01-05 US disclosed