SCHEMBL7181986

SCHEMBL7181986

COC(=O)CCCN(C)C1CCC(OCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccc(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
SCHEMBL7181984 1.00 TACR1 (0.53) TACR1
SCHEMBL7183399 0.90 TACR1 (0.58) TACR1
SCHEMBL7183403 0.90 TACR1 (0.58) TACR1
SCHEMBL8326297 0.84 TACR1 (0.61) TACR1
SCHEMBL8326300 0.84 TACR1 (0.61) TACR1
SCHEMBL7525947 0.84 TACR1 (0.74) TACR1
SCHEMBL7525958 0.84 TACR1 (0.74) TACR1
SCHEMBL7525952 0.84 TACR1 (0.74) TACR1
SCHEMBL8322160 0.83 TACR1 (0.71) TACR1
SCHEMBL8322164 0.83 TACR1 (0.71) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322596-A1 ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2003-07-02 EP disclosed
WO-2002024629-A1 ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2002-03-28 WO disclosed