SCHEMBL3395392

SCHEMBL3395392

Cc1nc(-c2ccccc2)sc1C(=O)N[C@H]1CCCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 1.00
CNR2 P34972 2/20 0.77
TAS1R3 Q7RTX0 5/20 0.58
TAS1R1 Q7RTX1 5/20 0.58
HTT P42858 1/20 0.57
ALDH1A1 P00352 3/20 0.56
HPGD P15428 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TAS1R2 Q8TE23 4/20 0.56
HSD17B10 Q99714 1/20 0.55
RECQL P46063 1/20 0.55
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
TSHR P16473 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL6511967 1.00 CNR1 (1.00) CNR1CNR2TAS1R3TAS1R1HTT
SCHEMBL6515255 0.87 CNR1 (1.00) CNR1CNR2TAS1R3TAS1R1HTT
SCHEMBL3390949 0.87 CNR1 (1.00) CNR1CNR2TAS1R3TAS1R1HTT
SCHEMBL12788196 0.79 SMN1; SMN2 (0.69) CNR1HTTALDH1A1HPGDNPSR1
SCHEMBL5613910 0.78 CNR1 (0.66) CNR1CNR2TAS1R3TAS1R1HTT
SCHEMBL6511965 0.78 CNR1 (0.64) CNR1CNR2HTTALDH1A1HPGD
SCHEMBL3395386 0.78 CNR1 (0.64) CNR1CNR2HTTALDH1A1HPGD
SCHEMBL14335869 0.78 CNR1 (0.69) CNR1CNR2TAS1R3TAS1R1HTT
SCHEMBL14184701 0.77 CNR1 (0.66) CNR1CNR2TAS1R3TAS1R1ALDH1A1
SCHEMBL3395117 0.76 CNR1 (0.75) CNR1CNR2TAS1R3TAS1R1HTT

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 3 patents. 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
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