SCHEMBL5779729

SCHEMBL5779729

O=S(=O)(c1ccc(Cl)cc1)[C@H]1N(Cc2cccc3c2OCO3)c2ccccc2C12CCNCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.36
DRD1 P21728 2/20 0.36
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SCN9A Q15858 1/20 0.33
EED O75530 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CDK9 P50750 1/20 0.32
FAAH O00519 1/20 0.31
GNRHR P30968 1/20 0.31
KCNH2 Q12809 1/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL5599697 0.79 DRD1 (0.35) DRD2DRD1MAPTGNRHRKCNH2
SCHEMBL5599732 0.75 SMN1; SMN2 (0.38) DRD2OPRM1OPRL1SMN1; SMN2EED
SCHEMBL5783494 0.74 LMNA (0.40) DRD2OPRM1OPRL1SMN1; SMN2SCN9A
SCHEMBL5599820 0.72 SCN9A (0.37) OPRM1OPRL1SMN1; SMN2SCN9AEED
SCHEMBL5578491 0.68 GLRA3 (0.41) DRD2DRD1OPRM1OPRL1SMN1; SMN2
SCHEMBL5578664 0.64 DRD1 (0.41) DRD2DRD1SMN1; SMN2MEN1ALDH1A1
SCHEMBL916973 0.60 FAAH (0.53) DRD2DRD1SMN1; SMN2EEDMEN1
SCHEMBL5592351 0.58 HDAC1 (0.42) DRD2OPRM1SMN1; SMN2MEN1ALDH1A1
SCHEMBL14266525 0.56 FAAH (0.44) DRD2DRD1OPRM1OPRL1SMN1; SMN2
SCHEMBL16860861 0.55 NOTUM (0.36) OPRM1OPRL1ALDH1A1NPSR1GNRHR

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-1716148-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF Arena Pharmaceuticals, Inc. (US) 2006-11-02 EP claimed
WO-2005063745-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 WO claimed