SCHEMBL5470895

SCHEMBL5470895

CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(-c2ccccc2)c2ccccc2n2ccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 1.00
SGMS1 Q86VZ5 1/20 0.53
SGMS2 Q8NHU3 1/20 0.53

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
SCHEMBL14463980 0.86 TACR1 (1.00) TACR1
SCHEMBL8786435 0.81 TACR1 (0.73) TACR1SGMS1SGMS2
SCHEMBL8784841 0.76 TACR1 (1.00) TACR1
SCHEMBL9059887 0.76 TACR1 (0.62) TACR1
SCHEMBL5331418 0.76 TACR1 (0.80) TACR1
SCHEMBL8786183 0.74 TACR1 (0.78) TACR1
SCHEMBL8786688 0.74 TACR1 (0.77) TACR1
SCHEMBL8786442 0.74 TACR1 (0.77) TACR1
SCHEMBL8784772 0.74 TACR1 (0.65) TACR1
SCHEMBL8786174 0.74 TACR1 (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007074491-A1 HETEROTRICYCLIC AMIDE DERIVATIVES AS NEUROKININ-l (NKl) RECEPTOR LIGANDS UNIVERSITA DEGLI STUDI DI SIENA (IT) 2007-07-05 WO disclosed