SCHEMBL7306487

SCHEMBL7306487

CC(C)(C)C(=O)NC1(c2ccccc2)CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.44
OPRM1 P35372 2/20 0.43
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TACR1 P25103 3/20 0.39
HDAC1 Q13547 1/20 0.39
TTK P33981 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR2A P28223 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A9 P48067 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL12666547 0.89 POLB (0.46) SSTR4OPRM1POLBALDH1A1TACR1
SCHEMBL11323331 0.86 SSTR4 (0.50) SSTR4POLBALDH1A1TACR1HDAC1
SCHEMBL11311482 0.84 SSTR4 (0.52) SSTR4POLBALDH1A1HDAC1
SCHEMBL2231946 0.83 POLB (0.57) SSTR4OPRM1POLBALDH1A1HDAC1
SCHEMBL22528157 0.82 SSTR4 (0.42) SSTR4OPRM1POLBALDH1A1TACR1
SCHEMBL3892253 0.82 OPRM1 (0.45) SSTR4OPRM1POLBALDH1A1TACR1
SCHEMBL6972395 0.82 OPRM1 (0.50) SSTR4OPRM1POLBALDH1A1TACR1
Hydrochloric Acid SCHEMBL2479293 0.81 POLB (0.56) SSTR4OPRM1POLBALDH1A1HDAC1
SCHEMBL4631318 0.81 OPRM1 (0.49) SSTR4OPRM1POLBALDH1A1HDAC1
Hydrochloric Acid SCHEMBL27552695 0.81 OPRM1 (0.44) SSTR4OPRM1POLBALDH1A1TACR1

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
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-0700382-A1 NOVEL N-ARYLALIPHATIC-N-ALKYL-FUNCTIONALISED AMIDES, METHOD FOR THEIR PREPATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1996-03-13 EP disclosed
WO-1995026335-A1 NOVEL N-ARYLALIPHATIC-N-ALKYL-FUNCTIONALISED AMIDES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1995-10-05 WO 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