SCHEMBL3663378

SCHEMBL3663378

O=C(O)NCCCNC(=O)c1ccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.45
LIPG Q9Y5X9 1/20 0.45
FFAR1 O14842 4/20 0.44
PRKAA2 P54646 5/20 0.43
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
DEGS1 O15121 1/20 0.41
CHRM2 P08172 1/20 0.41
SCD O00767 1/20 0.41
CSF1R P07333 1/20 0.40
FLT3 P36888 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 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
SCHEMBL650526 0.89 LPL (0.42) LPLLIPGFFAR1PRKAA2TP53
SCHEMBL648886 0.88 CHRM4 (0.40) LPLLIPGFFAR1PRKAA2TP53
SCHEMBL648885 0.85 FFAR1 (0.40) LPLLIPGFFAR1PRKAA2TP53
SCHEMBL3668147 0.81 PRKAA2 (0.49) LPLLIPGFFAR1PRKAA2
SCHEMBL2505772 0.80 SLC6A5 (0.60) PRKAA2CHRM2DRD4
SCHEMBL651008 0.80 SCN9A (0.51) LPLLIPGPRKAA2DEGS1CSF1R
SCHEMBL651111 0.80 SCN9A (0.51) LPLLIPGPRKAA2DEGS1CSF1R
SCHEMBL651007 0.80 SCN9A (0.51) LPLLIPGPRKAA2DEGS1CSF1R
SCHEMBL649469 0.79 PRKAA2 (0.47) LPLLIPGPRKAA2DRD2DRD4
SCHEMBL648104 0.79 SLC6A5 (0.53) PRKAA2DRD4

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