SCHEMBL9870192

SCHEMBL9870192

CN1CCCC1CCNCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.60
CHRM1 P11229 4/20 0.60
CHRM4 P08173 3/20 0.60
USP2 O75604 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
CHRM5 P08912 1/20 0.57
CYP2D6 P10635 1/20 0.57
CHRM3 P20309 1/20 0.57

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
SCHEMBL9803038 0.93 CHRM2 (0.62) CHRM2CHRM1CHRM4USP2ALDH1A1
Hydrochloric Acid SCHEMBL10529214 0.92 CHRM2 (0.61) CHRM2CHRM1CHRM4LMNA
SCHEMBL10512469 0.90 CHRM2 (0.62) CHRM2CHRM1CHRM4CYP1A2CHRM3
SCHEMBL10515306 0.89 CHRM2 (0.53) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL9871420 0.88 CHRM2 (0.65) CHRM2CHRM1CHRM4CHRM5CHRM3
Hydrochloric Acid SCHEMBL9879815 0.87 CHRM2 (0.64) CHRM2CHRM1CHRM4LMNACHRM5
SCHEMBL11445770 0.86 CHRM2 (0.63) CHRM2CHRM1CHRM4USP2ALDH1A1
Hydrochloric Acid SCHEMBL10513989 0.85 CHRM2 (0.61) CHRM2CHRM1CHRM4
SCHEMBL8879195 0.85 CHRM2 (0.63) CHRM2CHRM1CHRM4
SCHEMBL8879790 0.84 CHRM2 (0.61) CHRM2CHRM1CHRM4USP2ALDH1A1

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-5002943-A Antispasmodic Agents, Bradycardia Treatment MIHM GERHARD (DE) 1991-03-26 US disclosed
EP-0346745-A1 Condensed diazepinones, processes for their preparation and pharmaceutical preparations containing them Dr. Karl Thomae GmbH (DE) 1989-12-20 EP disclosed