SCHEMBL13365089

SCHEMBL13365089

COc1cccc(CN[C@H](CO)c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 3/20 0.50
▸ KDM1A O60341 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ CD274 Q9NZQ7 2/20 0.42
▸ GPR88 Q9GZN0 1/20 0.40
▸ ADORA2A P29274 3/20 0.39
▸ MAN2B1 O00754 1/20 0.38
▸ EGFR P00533 2/20 0.38
▸ CTSA P10619 1/20 0.37
▸ MAN2A1 Q16706 1/20 0.36
▸ MAN1B1 Q9UKM7 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2B P29275 1/20 0.36

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
SCHEMBL3347110 0.87 TRPV3 (0.40) TRPV3KDM1AMAOAMAOBCD274
SCHEMBL3347106 0.87 TRPV3 (0.40) TRPV3KDM1AMAOAMAOBCD274
SCHEMBL14067123 0.73 KDM1A (0.49) TRPV3KDM1AMAOAMAOBADORA2A
SCHEMBL22445577 0.71 TDP1 (0.58) GPR88LMNA
SCHEMBL12493466 0.71 TDP1 (0.58) GPR88LMNA
SCHEMBL18114399 0.71 CASR (0.60) —
SCHEMBL3350666 0.71 KDM1A (0.38) TRPV3KDM1AMAOAMAOBADORA2A
SCHEMBL8485251 0.71 KDM1A (0.52) TRPV3KDM1AMAOAMAOBCD274
SCHEMBL8827525 0.71 KDM1A (0.50) TRPV3KDM1AMAOAMAOBADORA2A
SCHEMBL27088833 0.71 VSIR (0.54) TRPV3KDM1AMAOAMAOBCD274

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-2010059922-A1 PYRROLIDINE CARBOXAMIDE COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-05-27 — — WO disclosed
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