SCHEMBL20040975

SCHEMBL20040975

CNc1cc(C2CCC=C(CC3CC3)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.33
IDO1 P14902 1/20 0.32
MAPT P10636 1/20 0.30
NOTUM Q6P988 1/20 0.30

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
SCHEMBL28637837 0.78 NOTUM (0.43) MAPTNOTUM
SCHEMBL20040880 0.71 KDR (0.46) NOTUM
SCHEMBL28642986 0.63 SLC18A3 (0.36)
SCHEMBL330354 0.63 MAPT (0.55) IDO1MAPT
SCHEMBL20040714 0.62 KIF11 (0.44) IDO1MAPT
SCHEMBL15611355 0.62 HTR2C (0.44) NOTUM
Hydrochloric Acid SCHEMBL1968509 0.61 MAPT (0.53) IDO1MAPT
SCHEMBL15562144 0.61 NOTUM (0.53) IDO1NOTUM
SCHEMBL6898414 0.61 KDR (0.47) NOTUM
SCHEMBL15787494 0.61 NOTUM (0.39) IDO1NOTUM

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
EP-2864289-B1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTED AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS CB THERAPEUTICS INC (KY) 2018-04-11 EP disclosed