SCHEMBL9851646

SCHEMBL9851646

Cc1ccc2c(c1)C(=O)Nc1cccnc1N2C(=O)N1CCC2(CN(C)C2)C1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
CYP2D6 P10635 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
GMNN O75496 1/20 0.48
APEX1 P27695 1/20 0.48
RAB9A P51151 1/20 0.43

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
SCHEMBL9851590 0.96 LMNA (0.47) LMNAUSP2ALDH1A1CYP1A2CHRM2
SCHEMBL9851642 0.95 LMNA (0.48) LMNAUSP2ALDH1A1CYP1A2CHRM2
SCHEMBL9851749 0.93 LMNA (0.49) LMNAUSP2ALDH1A1CYP1A2CHRM2
SCHEMBL9851730 0.91 LMNA (0.46) LMNAUSP2ALDH1A1CYP1A2CHRM2
SCHEMBL9851597 0.90 LMNA (0.48) LMNAUSP2ALDH1A1CYP1A2CHRM2
SCHEMBL9851631 0.90 LMNA (0.47) LMNAUSP2ALDH1A1CYP1A2CHRM2
SCHEMBL9851655 0.90 LMNA (0.56) LMNAUSP2ALDH1A1CYP1A2CHRM2
SCHEMBL9851843 0.89 LMNA (0.47) LMNAUSP2ALDH1A1CYP1A2CHRM2
SCHEMBL9851628 0.89 LMNA (0.45) LMNAUSP2ALDH1A1CYP1A2CHRM2
SCHEMBL9851557 0.89 CHRM2 (0.47) LMNAUSP2ALDH1A1CYP1A2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417631-A2 Condensed diazepinones, process for their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1991-03-20 EP disclosed