SCHEMBL7311532

SCHEMBL7311532

CC(=O)NC1(c2ccccc2)CCN(CCCC(CN(C)C(=O)OC(C)(C)C)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 9/20 0.72
TACR1 P25103 3/20 0.72
CCR5 P51681 1/20 0.50
TACR3 P29371 3/20 0.49

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
SCHEMBL8970519 0.87 TACR2 (0.60) TACR2TACR1TACR3
SCHEMBL8973619 0.87 TACR2 (0.60) TACR2TACR1TACR3
SCHEMBL7310575 0.86 TACR2 (0.73) TACR2TACR1CCR5TACR3
Hydrochloric Acid SCHEMBL7750648 0.86 TACR2 (0.72) TACR2TACR1CCR5TACR3
Saredutant SCHEMBL185911 0.84 TACR2 (1.00) TACR2TACR1
Saredutant SCHEMBL676170 0.84 TACR2 (1.00) TACR2TACR1
Saredutant SCHEMBL9317902 0.83 TACR2 (0.98) TACR2TACR1
SCHEMBL7312636 0.82 TACR2 (0.66) TACR2TACR1TACR3
Hydrochloric Acid SCHEMBL7751882 0.81 TACR2 (0.65) TACR2TACR1TACR3
Saredutant SCHEMBL8592243 0.81 TACR2 (0.94) TACR2TACR1

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