SCHEMBL8321997

SCHEMBL8321997

CCC(C)Oc1ccc(-n2nnnc2C(F)(F)F)cc1C=O

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.37

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
SCHEMBL8706262 0.89 TACR1 (0.37) TACR1
SCHEMBL4203119 0.84 TACR1 (0.43) TACR1
SCHEMBL310305 0.83 TACR1 (0.44) TACR1
SCHEMBL8322001 0.83 TACR1 (0.38) TACR1
SCHEMBL3821496 0.81 TACR1 (0.37) TACR1
SCHEMBL5820443 0.81 TACR1 (0.36) TACR1
SCHEMBL7193387 0.79 TACR1 (0.41) TACR1
SCHEMBL4199018 0.78 PRMT1 (0.40) TACR1
SCHEMBL4197368 0.78 ALDH1A1 (0.40) TACR1
SCHEMBL7193383 0.77 TACR1 (0.40) 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
US-5919803-A TACHYKININ ANTAGONIST GLAXO GROUP LIMITED (GB) 1999-07-06 US disclosed