SCHEMBL3395386

SCHEMBL3395386

Cc1nc(-c2ccccc2)sc1C(=O)N[C@H]1CCc2ccccc2C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.64
ALDH1A1 P00352 4/20 0.58
HPGD P15428 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
SMN1; SMN2 Q16637 5/20 0.56
MAPT P10636 2/20 0.56
GAA P10253 1/20 0.56
NPC1 O15118 2/20 0.54
PPARD Q03181 2/20 0.52
PPARA Q07869 2/20 0.52
MTNR1A P48039 4/20 0.51
MTNR1B P49286 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 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
SCHEMBL6511965 1.00 CNR1 (0.64) CNR1ALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL6515251 0.86 CNR1 (0.61) CNR1SMN1; SMN2GAANPC1MTNR1A
SCHEMBL3390946 0.86 CNR1 (0.61) CNR1SMN1; SMN2GAANPC1MTNR1A
SCHEMBL12788196 0.83 SMN1; SMN2 (0.69) CNR1ALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL3395392 0.78 CNR1 (1.00) CNR1ALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL6511967 0.78 CNR1 (1.00) CNR1ALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL13071969 0.75 CHRM4 (0.54) CNR1ALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL13407796 0.75 ALDH1A1 (1.00) CNR1ALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL3395112 0.75 MTNR1A (0.50) CNR1ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL3392234 0.75 MTNR1A (0.50) CNR1ALDH1A1SMN1; SMN2MAPTGAA

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