SCHEMBL5317141

SCHEMBL5317141

NNc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.74

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
SCHEMBL5317188 0.85 TACR1 (0.78) TACR1
SCHEMBL8785732 0.85 TACR1 (1.00) TACR1
SCHEMBL5315947 0.82 TACR1 (0.76) TACR1
SCHEMBL8784456 0.76 TACR1 (0.70) TACR1
SCHEMBL5317173 0.75 TACR1 (0.62) TACR1
SCHEMBL15678903 0.73 TACR1 (1.00) TACR1
SCHEMBL8786442 0.73 TACR1 (0.77) TACR1
SCHEMBL14463974 0.73 TACR1 (1.00) TACR1
SCHEMBL6866336 0.69 CHRNB2 (0.68) TACR1
SCHEMBL8784841 0.69 TACR1 (1.00) 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