SCHEMBL9851610

SCHEMBL9851610

CCN1CCC2(CCN(C(=O)N3c4ccccc4NC(=O)c4cccnc43)C2)C1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.48
LMNA P02545 2/20 0.48
CHRM1 P11229 2/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CYP2D6 P10635 1/20 0.48
CHRM3 P20309 1/20 0.48
GMNN O75496 1/20 0.47
APEX1 P27695 1/20 0.47
RAB9A P51151 1/20 0.45

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
SCHEMBL9851662 0.95 CHRM2 (0.49) CHRM2LMNACHRM1USP2ALDH1A1
SCHEMBL9851618 0.95 CHRM2 (0.49) CHRM2LMNACHRM1USP2ALDH1A1
SCHEMBL9851603 0.93 CHRM2 (0.57) CHRM2LMNACHRM1USP2ALDH1A1
SCHEMBL9851630 0.89 CHRM2 (0.50) CHRM2LMNACHRM1USP2ALDH1A1
SCHEMBL9851695 0.88 LMNA (0.58) CHRM2LMNACHRM1USP2ALDH1A1
SCHEMBL9851551 0.88 LMNA (0.58) CHRM2LMNACHRM1USP2ALDH1A1
SCHEMBL9851717 0.88 CHRM2 (0.50) CHRM2LMNACHRM1USP2ALDH1A1
SCHEMBL9851693 0.88 CHRM2 (0.50) CHRM2LMNACHRM1USP2ALDH1A1
SCHEMBL9851637 0.88 CHRM2 (0.50) CHRM2LMNACHRM1USP2ALDH1A1
SCHEMBL9851613 0.88 CHRM2 (0.52) CHRM2LMNACHRM1USP2ALDH1A1

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