SCHEMBL8559009

SCHEMBL8559009

O=C1CCC(O)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.53
OPRL1 P41146 1/20 0.47
DRD2 P14416 1/20 0.46
TACR2 P21452 1/20 0.43
TACR3 P29371 1/20 0.43

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
SCHEMBL8559263 0.88 TACR1 (0.64) TACR1TACR2TACR3
SCHEMBL8558529 0.80 TACR1 (0.48) TACR1TACR2TACR3
SCHEMBL8563068 0.74 TACR1 (0.47) TACR1TACR2TACR3
SCHEMBL8566696 0.73 TACR1 (0.52) TACR1TACR2
SCHEMBL7817850 0.70 TACR1 (1.00) TACR1TACR2
SCHEMBL8483549 0.69 TACR1 (0.56) TACR1TACR2TACR3
SCHEMBL8203185 0.69 TACR1 (0.68) TACR1TACR2TACR3
SCHEMBL7306896 0.69 TACR1 (1.00) TACR1TACR2TACR3
SCHEMBL8561467 0.68 TACR1 (0.52) TACR1TACR2TACR3
SCHEMBL7819383 0.68 TACR1 (0.62) TACR1TACR2TACR3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726313-A Substituted arylaliphatic compounds, method of preparing them and pharmaceutical compositions in which they are present SANOFI (FR) 1998-03-10 US disclosed
EP-0700386-A1 NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1996-03-13 EP disclosed
WO-1995026338-A1 NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1995-10-05 WO disclosed