SCHEMBL9824562

SCHEMBL9824562

CN(CC1CCN(CCNC(=O)N2c3ccccc3C(=O)Nc3cccnc32)C1)C1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.63
CHRM1 P11229 4/20 0.63
CHRM4 P08173 3/20 0.63
MEN1 O00255 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
ALOX15 P16050 1/20 0.63
CYP2C19 P33261 1/20 0.63
KMT2A Q03164 1/20 0.63
CHRM5 P08912 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
SCHEMBL9824807 0.88 CHRM2 (0.66) CHRM2CHRM1CHRM4MEN1CYP1A2
SCHEMBL9824223 0.87 CHRM2 (0.74) CHRM2CHRM1CHRM4MEN1CYP1A2
SCHEMBL9824578 0.87 CHRM2 (0.61) CHRM2CHRM1CHRM4MEN1CYP1A2
SCHEMBL9824181 0.86 CHRM2 (0.62) CHRM2CHRM1CHRM4MEN1CYP1A2
SCHEMBL9824339 0.85 CHRM2 (0.73) CHRM2CHRM1CHRM4MEN1CYP1A2
SCHEMBL9824129 0.85 CHRM2 (0.65) CHRM2CHRM1CHRM4MEN1CYP1A2
SCHEMBL9824224 0.85 CHRM2 (0.80) CHRM2CHRM1CHRM4MEN1CYP1A2
SCHEMBL9824556 0.84 CHRM2 (0.65) CHRM2CHRM1CHRM4MEN1CYP1A2
SCHEMBL10506209 0.84 CHRM2 (0.63) CHRM2CHRM1CHRM4CYP1A2CYP3A4
SCHEMBL9824414 0.83 CHRM2 (0.68) CHRM2CHRM1CHRM4MEN1CYP1A2

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-0273239-B1 CONDENSED DIAZEPINONES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1991-03-06 EP disclosed
US-4873236-A BRADYCARDIAL AGENTS DR. KARL THOMAE GMBH (DE) 1989-10-10 US disclosed
EP-0273239-A1 Condensed diazepinones, processes for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1988-07-06 EP disclosed