SCHEMBL5635671

SCHEMBL5635671

O=C(c1cccc2ccccc12)N1CC2(CCNCC2)c2ccccc2[C@H]1Cc1cccc2c1OCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 2/20 0.37
MT-CO2 P00403 1/20 0.33
MGAM O43451 1/20 0.32
AMY1A P0DUB6 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 1/20 0.32
AVPR1A P37288 1/20 0.32
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SCN9A Q15858 1/20 0.31
NR1D1 P20393 4/20 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
SCHEMBL5635880 0.81 GRIN2B (0.44) AVPR1AMEN1KMT2ANR1D1CBX7
SCHEMBL5599820 0.72 SCN9A (0.37) EEDMT-CO2GAASMN1; SMN2ALDH1A1
SCHEMBL5578601 0.69 AVPR1A (0.43) ALDH1A1AVPR1AMEN1KMT2ASCN9A
SCHEMBL5582419 0.68 MEN1 (0.46) SMN1; SMN2ALDH1A1AVPR1AMEN1KMT2A
SCHEMBL5599341 0.66 TSHR (0.33) GAAALDH1A1MEN1KMT2AOPRM1
SCHEMBL5580211 0.66 AVPR1A (0.43) ALDH1A1AVPR1AMEN1KMT2A
SCHEMBL5599778 0.63 KMT2A (0.39) ALDH1A1RAB9AMEN1KMT2A
SCHEMBL5599702 0.63 HSD11B1 (0.35) OPRM1
SCHEMBL5599270 0.63 NOTUM (0.33) OPRM1
SCHEMBL5599671 0.63 KMT2A (0.33) GAAMEN1KMT2AMAPT

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
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO claimed