SCHEMBL9596357

SCHEMBL9596357

CN1CC2CN(C(=O)N3c4ccccc4NC(=O)c4cccnc43)CC2C1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.51
LMNA P02545 2/20 0.51
CHRM1 P11229 2/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
CYP2D6 P10635 1/20 0.51
CHRM3 P20309 1/20 0.51
GMNN O75496 1/20 0.50
APEX1 P27695 1/20 0.50
RAB9A P51151 1/20 0.47

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
SCHEMBL9596110 0.92 CHRM2 (0.61) CHRM2LMNACHRM1USP2ALDH1A1
SCHEMBL9596164 0.89 CHRM2 (0.48) CHRM2LMNACHRM1USP2ALDH1A1
SCHEMBL9596790 0.87 CHRM2 (0.48) CHRM2LMNACHRM1USP2ALDH1A1
SCHEMBL9596771 0.87 CHRM2 (0.52) CHRM2LMNACHRM1USP2ALDH1A1
SCHEMBL9599124 0.85 CHRM2 (0.58) CHRM2LMNACHRM1USP2ALDH1A1
SCHEMBL9596805 0.85 CHRM2 (0.58) CHRM2LMNACHRM1USP2ALDH1A1
SCHEMBL9851565 0.85 CHRM2 (0.52) CHRM2LMNACHRM1USP2ALDH1A1
SCHEMBL9596394 0.85 CHRM2 (0.49) CHRM2LMNACHRM1USP2ALDH1A1
SCHEMBL9851659 0.83 CHRM2 (0.52) CHRM2LMNACHRM1USP2ALDH1A1
SCHEMBL9851545 0.82 CHRM2 (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5179090-A Antiischemic agents; treatment of asthma, bronchitis, heart diseases DR. KARL THOMAE GMBH (DE) 1993-01-12 US disclosed
EP-0417630-A2 Condensed diazepinones, process for their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1991-03-20 EP disclosed