SCHEMBL3665469

SCHEMBL3665469

O=C(O)N1CCC(NS(=O)(=O)c2ccc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)nc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 1/20 0.45
▸ UCHL1 P09936 1/20 0.44
▸ USP30 Q70CQ3 1/20 0.44
▸ LIPE Q05469 7/20 0.43
▸ GPR119 Q8TDV5 2/20 0.43
▸ PRKAA2 P54646 1/20 0.42
▸ SFRP1 Q8N474 2/20 0.42
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA4 P22748 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ DEGS1 O15121 1/20 0.40
▸ SLC6A9 P48067 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL649734 0.89 GPR119 (0.58) GPR119SFRP1
SCHEMBL649826 0.89 PRKAA2 (0.52) LIPEPRKAA2SFRP1CA12CA1
SCHEMBL4454172 0.89 USP30 (0.45) LIPGUCHL1USP30LIPEGPR119
SCHEMBL10113339 0.88 ALDH1A1 (0.46) LIPGUCHL1USP30LIPEGPR119
SCHEMBL648582 0.87 UCHL1 (0.43) LIPGUCHL1USP30LIPEGPR119
SCHEMBL648845 0.85 LIPE (0.45) UCHL1USP30LIPEGPR119PRKAA2
SCHEMBL650729 0.83 LIPE (0.43) UCHL1USP30LIPEPRKAA2SMN1; SMN2
SCHEMBL12225951 0.83 PRKAA2 (0.46) UCHL1USP30LIPEPRKAA2
SCHEMBL3665124 0.82 PRKAA2 (0.51) LIPGLIPEPRKAA2GAASMN1; SMN2
SCHEMBL4401672 0.82 LIPE (0.44) UCHL1USP30LIPEGPR119PRKAA2

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-2231600-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2010-09-29 — — EP claimed
WO-2009065131-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-22 — — WO claimed
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