SCHEMBL9728115

SCHEMBL9728115

O=C1Nc2cccnc2N(C(=O)CN2CCCC(CCCN3CCCCC3)C2)c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.64
CHRM1 P11229 2/20 0.64
USP2 O75604 1/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
CYP1A2 P05177 1/20 0.63
CHRM4 P08173 1/20 0.63
CHRM5 P08912 1/20 0.63
CYP2D6 P10635 1/20 0.63
CHRM3 P20309 1/20 0.63

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
SCHEMBL9727681 0.92 CHRM2 (0.61) CHRM2CHRM1USP2ALDH1A1LMNA
SCHEMBL9727789 0.92 CHRM2 (0.73) CHRM2CHRM1USP2ALDH1A1LMNA
SCHEMBL10515020 0.90
SCHEMBL9727711 0.89 CHRM2 (0.75) CHRM2CHRM1USP2ALDH1A1LMNA
SCHEMBL10508542 0.89 CHRM2 (0.69) CHRM2CHRM1USP2ALDH1A1LMNA
SCHEMBL9728501 0.89 CHRM2 (0.67) CHRM2CHRM1USP2ALDH1A1LMNA
SCHEMBL8880455 0.89
SCHEMBL10515636 0.89
Hydrochloric Acid SCHEMBL9676640 0.88
SCHEMBL9676012 0.88

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-5175158-A CONDENSED DIAZEPINONES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS DR. KARL THOMAE, GMBH (DE) 1992-12-29 US disclosed
EP-0312895-A2 Condensed diazepinones, process for their preparation and medicament containing them Dr. Karl Thomae GmbH (DE) 1989-04-26 EP disclosed