SCHEMBL7315847

SCHEMBL7315847

CC(C)(C)OC(=O)NC1(c2ccccc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 6/20 0.56
NPFFR2 Q9Y5X5 6/20 0.56
DPP4 P27487 1/20 0.50
OPRL1 P41146 1/20 0.49
POLB P06746 2/20 0.48
CYP2D6 P10635 3/20 0.47
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
ALDH1A1 P00352 1/20 0.46
DRD2 P14416 1/20 0.45

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
SCHEMBL1036462 0.93 NPFFR1 (0.52) NPFFR1NPFFR2DPP4OPRL1POLB
SCHEMBL3408119 0.92 NPFFR1 (0.52) NPFFR1NPFFR2DPP4POLBCYP2D6
SCHEMBL5698817 0.88 POLB (0.54) DPP4OPRL1POLBCYP2D6ALDH1A1
SCHEMBL23647587 0.85 NPFFR1 (0.52) NPFFR1NPFFR2DPP4CYP2D6SIGMAR1
SCHEMBL1997960 0.85 NPFFR1 (0.58) NPFFR1NPFFR2DPP4OPRL1CYP2D6
SCHEMBL8606869 0.84 NPFFR1 (0.57) NPFFR1NPFFR2OPRL1CYP2D6SIGMAR1
SCHEMBL7306529 0.84 DPP4 (0.53) NPFFR1NPFFR2DPP4OPRL1POLB
SCHEMBL16420447 0.84 CNR1 (0.47) DPP4POLBCNR1CNR2SIGMAR1
SCHEMBL6703813 0.83 NPFFR1 (0.61) NPFFR1NPFFR2OPRL1CYP2D6SIGMAR1
SCHEMBL23268296 0.83 NPFFR1 (0.56) NPFFR1NPFFR2OPRL1CYP2D6SIGMAR1

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