SCHEMBL8945898

SCHEMBL8945898

CC1=Nc2ccccc2CC(c2ccncc2)N1C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.35
HRH4 Q9H3N8 1/20 0.34
DRD2 P14416 1/20 0.34
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
RECQL P46063 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2D6 P10635 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CTSD P07339 1/20 0.33

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
Dazepinil SCHEMBL499286 0.90 CHRNB2 (0.40) MAOAMAOBRECQLKMT2ACYP2D6
SCHEMBL11266015 0.87 MAOA (0.43) CYP19A1MAOAMAOBRECQLKMT2A
SCHEMBL8945889 0.85 CHRNB2 (0.48) KMT2AMEN1
SCHEMBL9582495 0.85 ALDH1A1 (0.41) MAOAMAOBRECQLKMT2AMEN1
SCHEMBL9582304 0.84 MAOB (0.44) MAOAMAOBGAA
SCHEMBL11282542 0.84 MAOB (0.44) MAOAMAOBKMT2AMEN1L3MBTL1
SCHEMBL9583012 0.84 MEN1 (0.39) RECQLKMT2AMEN1
SCHEMBL9582567 0.84 HTR2A (0.38) CTSD
Hydrochloric Acid SCHEMBL9583083 0.83 MAOB (0.43) MAOAMAOBL3MBTL1
SCHEMBL8946144 0.82 CYP19A1 (0.34) CYP19A1HRH4DRD2MAOAMAOB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510346-A ANTIDEPRESSANTS, ANTIANXIETY AGENTS HOECHST MARION ROUSSEL, INC. (US) 1996-04-23 US claimed
US-5510346-A ANTIDEPRESSANTS, ANTIANXIETY AGENTS HOECHST MARION ROUSSEL, INC. (US) 1996-04-23 US disclosed
US-5292760-A 4-heteroaryl-1,3-benzodiazepines and 2-substituted-α-(heteroaryl)benzeneethanamines HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-03-08 US disclosed
EP-0322582-A2 4-Heteroaryl-1,3-Benzodiazepines and 2-substituted-alpha-(heteroaryl)benzeneethanamines, a process for their preparation and their use us medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-07-05 EP disclosed