SCHEMBL9676232

SCHEMBL9676232

CCCCN(CCCC)CCC1CCCN(C(=O)N2c3ccccc3NC(=O)c3cccnc32)C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.53
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
CHRM1 P11229 1/20 0.51
ALOX15 P16050 1/20 0.51
CHRM3 P20309 1/20 0.51
DRD1 P21728 1/20 0.51
DRD5 P21918 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51

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
SCHEMBL9674362 0.97 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM1ALOX15
SCHEMBL9674182 0.94 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1ALOX15
SCHEMBL9675990 0.93 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1ALOX15
SCHEMBL9676262 0.92 CHRM2 (0.59) CHRM2CHRM4CHRM5CHRM1ALOX15
SCHEMBL9674327 0.91 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1ALOX15
Hydrochloric Acid SCHEMBL9674305 0.88 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1ALOX15
SCHEMBL9674099 0.88 CHRM2 (0.58) CHRM2CHRM4CHRM5CHRM1ALOX15
SCHEMBL9676141 0.88 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM1ALOX15
SCHEMBL9674026 0.88 CHRM2 (0.49) CHRM2CHRM4CHRM1CHRM3
SCHEMBL9675216 0.87 CHRM2 (0.62) CHRM2CHRM4CHRM5CHRM1ALOX15

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