SCHEMBL5747875

SCHEMBL5747875

CC(C(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.N[C@H]1CCCN(C(=O)O)[C@@H]1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.48
KCNH2 Q12809 8/20 0.44

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
SCHEMBL5747877 0.80 TACR1 (0.47) TACR1KCNH2
SCHEMBL5746647 0.78 RIPK1 (0.50) TACR1
SCHEMBL5747606 0.78 RIPK1 (0.50) TACR1
SCHEMBL6310814 0.78 RIPK1 (0.50) TACR1
SCHEMBL5746649 0.78 RIPK1 (0.50) TACR1
SCHEMBL5748452 0.77 TACR1 (0.52) TACR1
SCHEMBL3143623 0.71 CES2 (0.45) TACR1KCNH2
SCHEMBL2510406 0.71 CES2 (0.45) TACR1KCNH2
SCHEMBL2486728 0.71 CES2 (0.45) TACR1KCNH2
SCHEMBL6828194 0.71 POLB (0.53) 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-1638935-A1 NK1 ANTAGONIST Pfizer Products Inc. (US) 2006-03-29 EP claimed
WO-2004110996-A1 NK1 ANTAGONIST PFIZER PRODUCTS INC. (US) 2004-12-23 WO claimed