SCHEMBL9833436

SCHEMBL9833436

CCC(CC)C1C(=O)Nc2cc3c(cc21)NC(C)N3

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.30
CREBBP Q92793 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL9835029 0.83 MAOB (0.39) BRPF1CREBBPMAOB
SCHEMBL9831075 0.82 KDM4E (0.40)
SCHEMBL9831475 0.78 IDO1 (0.31) MAOB
SCHEMBL9831375 0.75 KDM4E (0.41)
SCHEMBL9835978 0.75 PGR (0.43) BRPF1CREBBP
SCHEMBL9834483 0.74 IDO1 (0.35) BRPF1CREBBP
SCHEMBL9834649 0.70 ALDH1A1 (0.45) BRPF1CREBBP
SCHEMBL9833431 0.70 CHRNB2 (0.40)
SCHEMBL9831495 0.70 CYP1A2 (0.37)
SCHEMBL9833951 0.70 CYP1A2 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0214592-B1 PYRROLOBENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE PRODUCTS Roche Diagnostics GmbH (DE) 1991-08-14 EP disclosed
US-4730003-A Tricyclic compounds for treating heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1988-03-08 US disclosed
EP-0214592-A2 Pyrrolobenzimidazoles, process for their preparation and medicaments containing these products Roche Diagnostics GmbH (DE) 1987-03-18 EP disclosed