SCHEMBL9675504

SCHEMBL9675504

O=C1Nc2ccccc2N(C(=O)N2CCOC(CCN3CCCCC3)C2)c2ncccc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.44
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
GMNN O75496 1/20 0.44
APEX1 P27695 1/20 0.44

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
SCHEMBL9673729 0.94 LMNA (0.52) CHRM2LMNAUSP2ALDH1A1CYP1A2
SCHEMBL9676036 0.86 CHRM2 (0.48) CHRM2CHRM1
SCHEMBL9676009 0.85 LMNA (0.43) CHRM2LMNAUSP2ALDH1A1CYP1A2
SCHEMBL9675425 0.85 CHRM2 (0.47) CHRM2CHRM1
SCHEMBL9673861 0.85 CHRM2 (0.47) CHRM2CHRM1
SCHEMBL9675917 0.84 CHRM2 (0.49) CHRM2CHRM4CHRM1
SCHEMBL9674535 0.83 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9674009 0.82 CHRM2 (0.48) CHRM2
SCHEMBL9674043 0.82
SCHEMBL9678379 0.81

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-0306698-B1 CONDENSED DIAZEPINONES, PROCESSES FOR THEIR PREPARATION, AND MEDICAMENTS CONTAINING THESE COMPOUNDS Dr. Karl Thomae GmbH (DE) 1992-03-25 EP disclosed
US-4931436-A BRADYCARDIAL AGENTS DR. KARL THOMAE GMBH (DE) 1990-06-05 US disclosed
EP-0306698-A1 Condensed diazepinones, processes for their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1989-03-15 EP disclosed