SCHEMBL3663244

SCHEMBL3663244

O=C(NC1CCN(C(=O)c2ccnc(I)c2)CC1)c1cc2cc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)ccc2o1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 5/20 0.43
SLC6A5 Q9Y345 7/20 0.39
SLC6A4 P31645 1/20 0.39
TEAD1 P28347 1/20 0.39
SCN9A Q15858 1/20 0.39
ADRB2 P07550 1/20 0.38
PAK1 Q13153 1/20 0.38
ATF4 P18848 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL3665544 0.96 SCN9A (0.39) PRKAA2SLC6A5SLC6A4SCN9AADRB2
SCHEMBL3666576 0.95 PRKAA2 (0.43) PRKAA2SLC6A5SLC6A4TEAD1SCN9A
SCHEMBL648611 0.92 PRKAA2 (0.43) PRKAA2SLC6A5SLC6A4TEAD1SCN9A
SCHEMBL647134 0.88 SLC6A4 (0.41) PRKAA2SLC6A4TEAD1SCN9AADRB2
SCHEMBL647133 0.88 SLC6A4 (0.41) PRKAA2SLC6A4TEAD1SCN9AADRB2
SCHEMBL648854 0.87 PRKAA2 (0.44) PRKAA2SLC6A5SLC6A4TEAD1ADRB2
SCHEMBL3659838 0.84 SLC6A4 (0.43) PRKAA2SLC6A4TEAD1SCN9AATF4
SCHEMBL649203 0.83 HDAC4 (0.45) SLC6A4
SCHEMBL4403528 0.83 PRKAA2 (0.44) PRKAA2EPHX2
SCHEMBL647012 0.83 PRKAA2 (0.44) PRKAA2EPHX2

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