SCHEMBL11035627

SCHEMBL11035627

Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CCCn2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.62
OPRK1 P41145 3/20 0.62
USP2 O75604 2/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2D6 P10635 2/20 0.62
HTR1A P08908 2/20 0.62
LMNA P02545 2/20 0.62
MEN1 O00255 1/20 0.62
SLC22A2 O15244 1/20 0.62
NR1I2 O75469 1/20 0.62
GMNN O75496 1/20 0.62
GLA P06280 1/20 0.62
ADRB2 P07550 1/20 0.62
ADRB1 P08588 1/20 0.62
CYP3A4 P08684 1/20 0.62
ADRA2A P08913 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
DRD2 P14416 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62

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
SCHEMBL11040157 0.89 LMNA (0.60) OPRM1OPRK1USP2CYP1A2CYP2D6
SCHEMBL7634043 0.80 OPRM1 (0.87) OPRM1OPRK1USP2CYP1A2CYP2D6
SCHEMBL11510948 0.78 OPRM1 (0.87) OPRM1OPRK1USP2CYP1A2CYP2D6
Domperidone SCHEMBL43729 0.77 OPRM1 (1.00) OPRM1OPRK1USP2CYP1A2CYP2D6
Domperidone SCHEMBL29373565 0.77 OPRM1 (1.00) OPRM1OPRK1USP2CYP1A2CYP2D6
SCHEMBL11509148 0.77 OPRM1 (1.00) OPRM1OPRK1USP2CYP1A2CYP2D6
SCHEMBL11929195 0.77 OPRM1 (0.78) OPRM1OPRK1USP2CYP1A2CYP2D6
SCHEMBL11163898 0.76 USP2 (0.61) OPRM1OPRK1USP2CYP1A2CYP2D6
SCHEMBL3036994 0.76 LMNA (0.70) OPRM1OPRK1USP2CYP1A2CYP2D6
Domperidone SCHEMBL5569643 0.76 OPRM1 (0.98) OPRM1OPRK1USP2CYP1A2CYP2D6

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-0058975-B1 SUBSTITUTED N-(4-INDOLYL-PIPERIDINO-ALKYL) BENZIMIDAZOLONES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PREPARATIONS Boehringer Ingelheim Pharmaceuticals Inc. (US) 1984-12-12 EP disclosed
US-4359468-A ALSO USEFUL AS HYPOTENSIVE AGE NTS BOEHRINGER INGELHEIM LTD. (US) 1982-11-16 US disclosed
EP-0058975-A1 Substituted N-(4-indolyl-piperidino-alkyl) benzimidazolones, processes for their preparation and their use as pharmaceutical preparations Boehringer Ingelheim Pharmaceuticals Inc. (US) 1982-09-01 EP disclosed