SCHEMBL8522904

SCHEMBL8522904

CN(Cc1nc[nH]n1)[C@@H]1CC[C@H](OCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.53

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
SCHEMBL8522905 1.00 TACR1 (0.53) TACR1
SCHEMBL8326745 0.90 TACR1 (0.53) TACR1
SCHEMBL8326748 0.90 TACR1 (0.53) TACR1
SCHEMBL8326759 0.84 TACR1 (0.73) TACR1
SCHEMBL8700432 0.83 TACR1 (0.75) TACR1
SCHEMBL8707278 0.83 TACR1 (0.75) TACR1
SCHEMBL8700440 0.83 TACR1 (0.75) TACR1
SCHEMBL8700433 0.83 TACR1 (0.75) TACR1
SCHEMBL8326160 0.82 TACR1 (0.52) TACR1
SCHEMBL8326297 0.80 TACR1 (0.61) TACR1

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
EP-0858444-A4 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-12-01 EP disclosed
EP-0858444-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-08-19 EP disclosed
WO-1997014671-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 WO disclosed