SCHEMBL9824385

SCHEMBL9824385

CCCN(CCC)CC1CN(CCNC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CCO1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.68
CHRM1 P11229 4/20 0.68
CHRM4 P08173 3/20 0.68
CHRM5 P08912 3/20 0.68
CHRM3 P20309 3/20 0.68
ALOX15 P16050 2/20 0.68
CYP1A2 P05177 2/20 0.68
CYP2D6 P10635 2/20 0.68
MEN1 O00255 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
KMT2A Q03164 1/20 0.68
DRD1 P21728 1/20 0.49
DRD5 P21918 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL9824223 0.88 CHRM2 (0.74) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL9824339 0.86 CHRM2 (0.73) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL9824807 0.83 CHRM2 (0.66) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL9824230 0.83 CHRM2 (0.70) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL10570987 0.82 CHRM2 (0.96) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL9824271 0.82 CHRM2 (0.96) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL9824414 0.81 CHRM2 (0.68) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL9824222 0.81 CHRM2 (1.00) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL20584476 0.81 CHRM2 (1.00) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL29462354 0.81 CHRM2 (1.00) CHRM2CHRM1CHRM4CHRM5CHRM3

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
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