SCHEMBL7315782

SCHEMBL7315782

O=C(NC1(c2ccccc2)CCN(Cc2ccccc2)CC1)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.53
OPRL1 P41146 2/20 0.52
POLB P06746 1/20 0.51
CACNA1G O43497 4/20 0.50
OPRM1 P35372 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL7306354 0.95 TSHR (0.51) DPP4OPRL1POLBCACNA1G
SCHEMBL7307127 0.94 TSHR (0.53) DPP4OPRL1POLBCACNA1G
SCHEMBL8366548 0.84 GAA (0.48) DPP4GAA
SCHEMBL4631243 0.83 POLB (0.64) DPP4OPRL1POLBOPRM1
SCHEMBL27511071 0.83 DPP4 (0.58) DPP4OPRL1POLBOPRM1
Hydrochloric Acid SCHEMBL9317938 0.82 POLB (0.62) DPP4OPRL1POLB
SCHEMBL5698817 0.81 POLB (0.54) DPP4OPRL1POLBOPRM1
SCHEMBL7306529 0.80 DPP4 (0.53) DPP4OPRL1POLBOPRM1
SCHEMBL4630797 0.80 TACR3 (0.55) DPP4OPRL1POLBOPRM1
SCHEMBL27577556 0.77 OPRL1 (0.52) DPP4OPRL1POLBOPRM1

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 10 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
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-5965580-A TREATMENT OF SUBSTANCE P- AND NEUROKININ-DEPENDENT DISORDERS SANOFI (FR) 1999-10-12 US 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-5939411-A PIPERIDINE DERIVATIVES SUBSTITUTED AT POSITION 4 WITH NEW FUNCTIONS OTHER THAN THOSE DESCRIBED PREVIOUSLY HAVE A HIGH AFFINITY FOR NEUROKININ RECEPTORS AND ARE USEFUL FOR TREATMENT OF SUBSTANCE P AND NEUROKININ DEPENDENT PATHOLOGIES SANOFI (FR) 1999-08-17 US disclosed
US-5830906-A Piperidine derivatives, process for obtaining them and pharmaceutical compositions containing them SANOFI (FR) 1998-11-03 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