SCHEMBL7147765

SCHEMBL7147765

O=C(N[C@@H]1CCCc2ccccc21)c1cc2sccc2nc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.55
CNR2 P34972 2/20 0.55
TAS1R3 Q7RTX0 9/20 0.51
TAS1R1 Q7RTX1 9/20 0.51
TAS1R2 Q8TE23 9/20 0.51
ALDH1A1 P00352 3/20 0.50
HTT P42858 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL6515896 0.81 MTNR1A (0.43) LMNA
SCHEMBL6520141 0.73 CNR1 (0.75) CNR1CNR2TAS1R3TAS1R1TAS1R2
SCHEMBL3395117 0.73 CNR1 (0.75) CNR1CNR2TAS1R3TAS1R1TAS1R2
SCHEMBL12521450 0.69 TAS1R3 (0.74) TAS1R3TAS1R1TAS1R2ALDH1A1HTT
SCHEMBL1150791 0.69 GFER (0.43) ALDH1A1HSD17B10
SCHEMBL22867848 0.69 HSD17B2 (0.73) TAS1R3TAS1R1TAS1R2ALDH1A1HTT
SCHEMBL17743126 0.69 KDM4E (0.55) CNR1CNR2TAS1R3TAS1R1TAS1R2
SCHEMBL17743219 0.69 KDM4E (0.52) CNR1CNR2TAS1R3TAS1R1TAS1R2
SCHEMBL606392 0.68 HTT (0.63) TAS1R3TAS1R1TAS1R2ALDH1A1HTT
SCHEMBL15006999 0.68 HTT (0.63) TAS1R3TAS1R1TAS1R2ALDH1A1HTT

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-1370530-A1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL Aventis Pharma Deutschland GmbH (DE) 2003-12-17 EP disclosed
WO-2002064565-A1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 WO disclosed