SCHEMBL7309717

SCHEMBL7309717

CN(C(=O)C(C)(C)C)C1(c2ccccc2)CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 17/20 0.53
OPRL1 P41146 15/20 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
SCHEMBL4631671 0.84 OPRM1 (0.73) OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL7478467 0.82 OPRM1 (0.69) OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL7478459 0.82 OPRM1 (0.69) OPRM1OPRL1OPRK1
SCHEMBL7313869 0.79 OPRM1 (0.56) OPRM1OPRL1OPRK1
SCHEMBL7312540 0.78 OPRM1 (0.51) OPRM1OPRL1OPRK1
SCHEMBL7514792 0.78 OPRM1 (0.56) OPRM1OPRL1OPRK1
Trifluoroacetic Acid SCHEMBL3404097 0.78 OPRM1 (0.54) OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL6543281 0.77 OPRM1 (0.54) OPRM1OPRL1OPRK1
SCHEMBL2834926 0.77 OPRM1 (0.72) OPRM1OPRL1OPRK1
SCHEMBL7305338 0.77 OPRM1 (0.47) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294537-B1 NEUROKININS USED FOR TREATMENT OF DISEASES SANOFI-SYNTHELABO (FR) 2001-09-25 US disclosed
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
US-6124316-A ACTIVE DRUG TREATING PSYCHIATRIC DISEASES, DISEASES OF PSYCHOSOMATIC ORIGIN, OF HYPERTENSION AND, NERVOUS SYSTEM DISORDERS SANOFI (FR) 2000-09-26 US disclosed
CN-1056605-C Compounds as selective antagonists of human tachykinin III receptor and uses thereof SANOFI CORP (FR) 2000-09-20 CN disclosed
US-5942523-A NOVEL PIPERIDINE DERIVATIVES WHOSE SPECIFIC STRUCTURE INCLUDES AT POSITION 1 AN ALKYL CHAIN HAVING A 3,4-DICHLOROPHENYL GROUP ATTACHED; HIGH SELECTIVITY TO THE NK3 RECEPTOR; UNIT DOSAGE FORM; TREATING PSYCHIATRIC DISEASES SANOFI (FR) 1999-08-24 US disclosed
US-5741910-A PIPERIDINE DERIVATIVE INTERMEDIATES SANOFI (FR) 1998-04-21 US disclosed
CN-1128756-A Compounds as selective antagonists of the human tachykinin III receptor and uses thereof SANOFI CORP (FR) 1996-08-14 CN 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