SCHEMBL3664468

SCHEMBL3664468

O=C(NC1CN(Cc2ccncc2)C1I)c1ccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
PRKAA2 P54646 5/20 0.40
F10 P00742 1/20 0.39
ADRB2 P07550 1/20 0.38
FFAR1 O14842 4/20 0.38
SLC6A5 Q9Y345 1/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
TEAD1 P28347 1/20 0.37
EPHX2 P34913 1/20 0.37
ACACB O00763 1/20 0.36
DEGS1 O15121 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
SCN9A Q15858 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
SCHEMBL3663820 0.90 PRKAA2 (0.51) PRKAA2EPHX2
SCHEMBL649469 0.86 PRKAA2 (0.47) LPLLIPGPRKAA2ADRB2SLC6A5
SCHEMBL649758 0.84 PRKAA2 (0.49) PRKAA2ADRB2SLC6A5TEAD1
SCHEMBL650342 0.84 PRKAA2 (0.49) PRKAA2ADRB2SLC6A5TEAD1
SCHEMBL649757 0.84 PRKAA2 (0.49) PRKAA2ADRB2SLC6A5TEAD1
SCHEMBL648104 0.84 SLC6A5 (0.53) PRKAA2ADRB2SLC6A5TEAD1
SCHEMBL3798034 0.80 SLC6A5 (0.50) LPLLIPGPRKAA2FFAR1SLC6A5
SCHEMBL648886 0.78 CHRM4 (0.40) LPLLIPGPRKAA2F10FFAR1
SCHEMBL648570 0.78 SLC6A5 (0.52) PRKAA2ADRB2SLC6A5TEAD1
SCHEMBL647670 0.78 SLC6A5 (0.64) PRKAA2SLC6A5HIF1AEPAS1

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