SCHEMBL9675937

SCHEMBL9675937

O=C1Nc2ccccc2N(C(=O)N2CCC(CCCCN3CCCC3)CC2)c2ncccc21

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.53
CHRM4 P08173 3/20 0.53
CHRM1 P11229 3/20 0.53
CHRM5 P08912 2/20 0.53
CHRM3 P20309 2/20 0.53
ALOX15 P16050 1/20 0.53
DRD1 P21728 1/20 0.53
DRD5 P21918 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53

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
Hydrochloric Acid SCHEMBL9676066 0.99 CHRM2 (0.52) CHRM2CHRM4CHRM1CHRM5CHRM3
SCHEMBL9673821 0.97 CHRM2 (0.51) CHRM2CHRM4CHRM1CHRM5CHRM3
SCHEMBL9674213 0.95 CHRM2 (0.49) CHRM2CHRM4CHRM1CHRM5CHRM3
SCHEMBL9676282 0.93 CHRM2 (0.60) CHRM2CHRM4CHRM1CHRM5CHRM3
SCHEMBL9674192 0.92 CHRM2 (0.60) CHRM2CHRM4CHRM1CHRM5CHRM3
SCHEMBL9674535 0.92 CHRM2 (0.48) CHRM2CHRM4CHRM1CHRM5CHRM3
SCHEMBL9674130 0.90 CHRM2 (0.58) CHRM2CHRM4CHRM1CHRM5CHRM3
SCHEMBL9678379 0.88
SCHEMBL9727985 0.88 CHRM2 (0.65) CHRM2CHRM4CHRM1CHRM5CHRM3
SCHEMBL9676036 0.88 CHRM2 (0.48) CHRM2CHRM1

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