SCHEMBL5747657

SCHEMBL5747657

Cc1ccccc1C1C2CNCC(C2)CN1C(=O)NCC(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.38
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL2799702 0.83 TRPV1 (0.39) TACR1TRPV1
SCHEMBL5747655 0.82 TACR1 (0.38) TACR1
SCHEMBL17233113 0.74 TACR1 (0.39) TACR1TRPV1
SCHEMBL6311624 0.73 CHRNB2 (0.43)
SCHEMBL13201191 0.68 TACR1 (0.54) TACR1
SCHEMBL2800852 0.68 TACR1 (0.54) TACR1
SCHEMBL13200848 0.68 TACR1 (0.54) TACR1
SCHEMBL2800437 0.68 TACR1 (0.54) TACR1
SCHEMBL5747877 0.67 TACR1 (0.47) TACR1
SCHEMBL5748455 0.66 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-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