SCHEMBL7304290

SCHEMBL7304290

CCNC(=O)N(C)CC1(c2ccccc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 4/20 0.53
NPFFR2 Q9Y5X5 4/20 0.53
CACNA1G O43497 1/20 0.51
OPRM1 P35372 5/20 0.48
OPRL1 P41146 2/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.46
CYP2D6 P10635 2/20 0.45
SIGMAR1 Q99720 4/20 0.45
OPRK1 P41145 1/20 0.43
KCNA3 P22001 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL4629996 0.84 CACNA1G (0.55) NPFFR1NPFFR2CACNA1GOPRM1OPRL1
SCHEMBL7304297 0.84 NPFFR1 (0.59) NPFFR1NPFFR2CACNA1GOPRL1ALDH1A1
SCHEMBL4630028 0.83 CACNA1G (0.54) NPFFR1NPFFR2CACNA1GOPRM1OPRL1
SCHEMBL7306023 0.83 CACNA1G (0.52) NPFFR1NPFFR2CACNA1GOPRM1OPRL1
SCHEMBL4631201 0.82 BCHE (0.52) NPFFR1NPFFR2CACNA1GOPRM1OPRL1
SCHEMBL7305712 0.80 OPRM1 (0.53) OPRM1OPRL1ALDH1A1KCNA3
SCHEMBL3937184 0.76 NPFFR1 (0.66) NPFFR1NPFFR2CACNA1GOPRL1ALDH1A1
SCHEMBL2842737 0.75 NPFFR1 (0.69) NPFFR1NPFFR2CACNA1GOPRL1KDM4E
SCHEMBL27566058 0.73 NPFFR1 (0.60) NPFFR1NPFFR2CACNA1GOPRL1KDM4E
SCHEMBL18423666 0.73 SIGMAR1 (0.74) OPRM1ALDH1A1KDM4ESIGMAR1

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 5 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
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
EP-0673928-A1 Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists SANOFI (FR) 1995-09-27 EP disclosed