SCHEMBL7181890

SCHEMBL7181890

Fc1ccc([C@H]2[C@H](CN3CCC(c4nnn[nH]4)CC3)CC[C@@H]2OCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 15/20 0.49
CCR2 P41597 5/20 0.35

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
SCHEMBL7181897 1.00 TACR1 (0.49) TACR1CCR2
SCHEMBL5212885 0.84 TACR1 (0.53) TACR1
SCHEMBL5212874 0.84 TACR1 (0.53) TACR1
SCHEMBL5212879 0.84 TACR1 (0.53) TACR1
SCHEMBL8322669 0.79 TACR1 (0.52) TACR1
SCHEMBL8328424 0.79 TACR1 (0.52) TACR1
SCHEMBL7184314 0.76 TACR1 (0.49) TACR1
SCHEMBL7184311 0.76 TACR1 (0.49) TACR1
SCHEMBL7205307 0.75 TACR1 (0.52) TACR1
SCHEMBL8325707 0.75 TACR1 (0.51) 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 claimed
WO-2002024629-A1 ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2002-03-28 WO claimed