SCHEMBL7306255

SCHEMBL7306255

CCNC1(c2ccccc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.58
POLB P06746 2/20 0.56
OPRM1 P35372 1/20 0.54
CYP3A4 P08684 2/20 0.53
HSD17B10 Q99714 1/20 0.53
SIGMAR1 Q99720 5/20 0.52
TSHR P16473 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CCR3 P51677 1/20 0.49
CYP2C9 P11712 1/20 0.49
HIF1A Q16665 1/20 0.49
MC4R P32245 1/20 0.49
CYP2D6 P10635 3/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
DRD2 P14416 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
SCHEMBL4630049 0.86 OPRL1 (0.59) OPRL1POLBOPRM1CYP3A4HSD17B10
SCHEMBL5698811 0.83 OPRL1 (0.56) OPRL1POLBOPRM1CYP3A4HSD17B10
SCHEMBL30122291 0.81 OPRL1 (0.58) OPRL1POLBOPRM1CYP3A4HSD17B10
SCHEMBL469195 0.81 OPRM1 (0.48) OPRL1POLBOPRM1
SCHEMBL4631243 0.80 POLB (0.64) OPRL1POLBOPRM1HSD17B10CYP2C19
SCHEMBL7315167 0.80 OPRL1 (0.52) OPRL1POLBOPRM1CYP3A4HSD17B10
SCHEMBL4631769 0.79 OPRL1 (0.55) OPRL1POLBOPRM1CYP3A4HSD17B10
Formic Acid SCHEMBL6140137 0.79 OPRL1 (0.55) OPRL1POLBOPRM1CYP3A4HSD17B10
Hydrochloric Acid SCHEMBL9317938 0.79 POLB (0.62) OPRL1POLBHSD17B10CYP2C19ALDH1A1
SCHEMBL971739 0.78 OPRM1 (0.57) OPRL1POLBOPRM1CYP3A4HSD17B10

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 7 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-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