SCHEMBL5748455

SCHEMBL5748455

Cc1cc(F)ccc1C1C(N(C)C)CCCN1C(=O)NCC(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.51

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
SCHEMBL5748452 0.82 TACR1 (0.52) TACR1
SCHEMBL5747743 0.75 TACR1 (0.43) TACR1
SCHEMBL5747877 0.75 TACR1 (0.47) TACR1
SCHEMBL4398271 0.75 TACR1 (0.54) TACR1
SCHEMBL20530535 0.74 CYP3A4 (0.49) TACR1
SCHEMBL6626769 0.73 TACR1 (0.56) TACR1
SCHEMBL20530541 0.73 TACR1 (0.45) TACR1
SCHEMBL20597665 0.73 CYP3A4 (0.48) TACR1
SCHEMBL6600387 0.73 TACR1 (0.57) TACR1
SCHEMBL20530519 0.73 TACR1 (0.45) 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