SCHEMBL6986848

SCHEMBL6986848

CC1(C)CNCCN1C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
NAMPT P43490 1/20 0.46
EPHX2 P34913 3/20 0.44
TRPV1 Q8NER1 5/20 0.44
TRPM8 Q7Z2W7 2/20 0.43
MAPKAPK2 P49137 1/20 0.42

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
SCHEMBL655599 0.77 POLB (0.63) MAPTCNR1CNR2NAMPTTRPV1
Hydrochloric Acid SCHEMBL23246046 0.76 POLB (0.66) MAPTCNR1CNR2NAMPTTRPV1
SCHEMBL14934385 0.74 CYP2D6 (0.60) MAPTNAMPTEPHX2TRPV1TRPM8
SCHEMBL3072567 0.73 MAPT (0.59) MAPTCNR1CNR2NAMPTEPHX2
SCHEMBL4559682 0.72 MAPT (0.73) MAPTCNR1CNR2NAMPTEPHX2
SCHEMBL22568186 0.72 TRPV1 (0.47) MAPTCNR1CNR2NAMPTEPHX2
SCHEMBL4813571 0.71 EPHX2 (0.61) MAPTCNR1CNR2NAMPTEPHX2
SCHEMBL4813582 0.71 EPHX2 (0.61) MAPTCNR1CNR2NAMPTEPHX2
Hydrochloric Acid SCHEMBL28861578 0.71 POLB (0.58) MAPTCNR1CNR2NAMPTTRPV1
SCHEMBL25153745 0.71 HSD17B10 (0.73) NAMPTEPHX2

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-1301484-A2 CAPSAICIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2003-04-16 EP claimed
WO-2002008221-A2 CAPSAICIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2002-01-31 WO claimed