SCHEMBL7313869

SCHEMBL7313869

CCC(=O)N(C)C1(c2ccccc2)CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 0.56
OPRL1 P41146 14/20 0.53
OPRK1 P41145 2/20 0.43

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
SCHEMBL7751873 0.86 OPRM1 (0.44) OPRM1OPRL1OPRK1
SCHEMBL4631671 0.84 OPRM1 (0.73) OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL7478459 0.82 OPRM1 (0.69) OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL7478467 0.82 OPRM1 (0.69) OPRM1OPRL1OPRK1
SCHEMBL7312540 0.81 OPRM1 (0.51) OPRM1OPRL1OPRK1
SCHEMBL7309717 0.79 OPRM1 (0.53) OPRM1OPRL1OPRK1
SCHEMBL7514792 0.78 OPRM1 (0.56) OPRM1OPRL1OPRK1
SCHEMBL27458716 0.78 OPRM1 (0.75) OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL6543281 0.77 OPRM1 (0.54) OPRM1OPRL1OPRK1
SCHEMBL2834926 0.77 OPRM1 (0.72) OPRM1OPRL1OPRK1

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-0673928-B1 Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists SANOFI SYNTHELABO (FR) 2001-08-29 EP disclosed
EP-0673928-A1 Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists SANOFI (FR) 1995-09-27 EP disclosed