SCHEMBL5747655

SCHEMBL5747655

CC(C(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cc1ccccc1C1C2CNCC(C2)CN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.38
KCNH2 Q12809 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
SCHEMBL5747657 0.82 TACR1 (0.38) TACR1
SCHEMBL6311624 0.82 CHRNB2 (0.43)
SCHEMBL5772066 0.72 TACR1 (0.38) TACR1
SCHEMBL5747262 0.69 CHRNB2 (0.49)
SCHEMBL13201191 0.68 TACR1 (0.54) TACR1
SCHEMBL2800437 0.68 TACR1 (0.54) TACR1
SCHEMBL2800852 0.68 TACR1 (0.54) TACR1
SCHEMBL13200848 0.68 TACR1 (0.54) TACR1
SCHEMBL6311317 0.67 CHRNA4 (0.40)
SCHEMBL5747875 0.67 TACR1 (0.48) TACR1KCNH2

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