SCHEMBL3395117

SCHEMBL3395117

Cc1nc(C(F)(F)F)c(C(=O)N[C@H]2CCCc3ccccc32)s1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.75
CNR2 P34972 2/20 0.75
TAS1R3 Q7RTX0 6/20 0.57
TAS1R1 Q7RTX1 6/20 0.57
TAS1R2 Q8TE23 5/20 0.55
HTT P42858 1/20 0.53
TSHR P16473 1/20 0.53
LMNA P02545 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 2/20 0.52
RECQL P46063 1/20 0.52
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL6520141 1.00 CNR1 (0.75) CNR1CNR2TAS1R3TAS1R1TAS1R2
SCHEMBL3390949 0.86 CNR1 (1.00) CNR1CNR2TAS1R3TAS1R1TAS1R2
SCHEMBL6515255 0.86 CNR1 (1.00) CNR1CNR2TAS1R3TAS1R1TAS1R2
SCHEMBL10256809 0.84 CNR1 (0.54) CNR1CNR2TAS1R3TAS1R1TAS1R2
SCHEMBL3392234 0.79 MTNR1A (0.50) CNR1CNR2HTTALDH1A1MAPT
SCHEMBL3395112 0.79 MTNR1A (0.50) CNR1CNR2HTTALDH1A1MAPT
SCHEMBL4815896 0.77 MAPT (0.47) CNR1CNR2HTTLMNAALDH1A1
SCHEMBL3395392 0.76 CNR1 (1.00) CNR1CNR2TAS1R3TAS1R1TAS1R2
SCHEMBL3147087 0.76 MAPT (0.46) CNR1CNR2HTTLMNAALDH1A1
SCHEMBL6511967 0.76 CNR1 (1.00) CNR1CNR2TAS1R3TAS1R1TAS1R2

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-1370530-B1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL SANOFI AVENTIS DEUTSCHLAND (DE) 2010-12-29 EP disclosed