SCHEMBL10969022

SCHEMBL10969022

O=C1Nc2cccnc2N(C(=O)CN2CCCCCC2)c2ccccc21

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.81
CHRM2 P08172 2/20 0.81
CHRM1 P11229 2/20 0.81
USP2 O75604 1/20 0.81
ALDH1A1 P00352 1/20 0.81
CYP1A2 P05177 1/20 0.81
CHRM4 P08173 1/20 0.81
CHRM5 P08912 1/20 0.81
CYP2D6 P10635 1/20 0.81
CHRM3 P20309 1/20 0.81
GMNN O75496 1/20 0.80
APEX1 P27695 1/20 0.80

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
SCHEMBL10709094 1.00 LMNA (0.81) LMNACHRM2CHRM1USP2ALDH1A1
SCHEMBL11814972 0.92 LMNA (0.68) LMNACHRM2CHRM1USP2ALDH1A1
SCHEMBL4759572 0.91 LMNA (0.80) LMNACHRM2CHRM1USP2ALDH1A1
SCHEMBL9540521 0.91 LMNA (0.80) LMNACHRM2CHRM1USP2ALDH1A1
SCHEMBL11821921 0.90 LMNA (0.70) LMNACHRM2CHRM1USP2ALDH1A1
SCHEMBL11445737 0.90 LMNA (0.69) LMNACHRM2CHRM1USP2ALDH1A1
Pirenzepine SCHEMBL41705 0.90 LMNA (1.00) LMNACHRM2CHRM1USP2ALDH1A1
Hydrochloric Acid SCHEMBL5501944 0.90 LMNA (0.80) LMNACHRM2CHRM1USP2ALDH1A1
SCHEMBL10968093 0.90 LMNA (0.69) LMNACHRM2CHRM1USP2ALDH1A1
Pirenzepine SCHEMBL9254860 0.90 LMNA (1.00) LMNACHRM2CHRM1USP2ALDH1A1

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-4556653-A ANTISECRETORY, ANTIULCER AND ANTISPASMODIC AGENTS DOMPE' FARMACEUTICA S.P.A. (IT) 1985-12-03 US disclosed
EP-0125607-A2 Pyrido(1,5)benzodiazepinone derivatives and pharmacological activities thereof DOMPE' FARMACEUTICI S.p.A. (IT) 1984-11-21 EP disclosed