SCHEMBL7304169

SCHEMBL7304169

CC(C)C(=O)N(C)C1(c2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1

nearest known ligand 0.87

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 17/20 0.87
TACR1 P25103 16/20 0.87
TACR3 P29371 9/20 0.87
CYP3A4 P08684 1/20 0.87
CYP2D6 P10635 1/20 0.87
CYP2C9 P11712 1/20 0.87
CYP2C19 P33261 1/20 0.87
CCR5 P51681 2/20 0.60
HRH1 P35367 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
Osanetant SCHEMBL5679271 0.93 TACR2 (1.00) TACR2TACR1TACR3CYP3A4CYP2D6
Osanetant SCHEMBL29371450 0.93 TACR2 (1.00) TACR2TACR1TACR3CYP3A4CYP2D6
Osanetant SCHEMBL4080131 0.93 TACR2 (1.00) TACR2TACR1TACR3CYP3A4CYP2D6
Osanetant SCHEMBL30961738 0.93 TACR2 (1.00) TACR2TACR1TACR3CYP3A4CYP2D6
Osanetant SCHEMBL119440 0.93 TACR2 (1.00) TACR2TACR1TACR3CYP3A4CYP2D6
Osanetant SCHEMBL5679471 0.92 TACR2 (0.98) TACR2TACR1TACR3CYP3A4CYP2D6
Osanetant SCHEMBL6543149 0.92 TACR2 (0.98) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL7313091 0.91 TACR2 (0.84) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL8136920 0.91 TACR2 (0.95) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL7303083 0.90 TACR2 (0.88) TACR2TACR1TACR3CYP3A4CYP2D6

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 claimed
EP-0673928-B1 Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists SANOFI SYNTHELABO (FR) 2001-08-29 EP claimed
US-6124316-A ACTIVE DRUG TREATING PSYCHIATRIC DISEASES, DISEASES OF PSYCHOSOMATIC ORIGIN, OF HYPERTENSION AND, NERVOUS SYSTEM DISORDERS SANOFI (FR) 2000-09-26 US claimed
EP-0673928-A1 Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists SANOFI (FR) 1995-09-27 EP claimed
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
EP-0673928-A1 Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists SANOFI (FR) 1995-09-27 EP disclosed