SCHEMBL3666601

SCHEMBL3666601

O=C(NC1CCN(C(=O)O)CC1)c1cc2cc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)ccc2s1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 8/20 0.48
CHRNA7 P36544 4/20 0.44
HTR3A P46098 2/20 0.44
TEAD1 P28347 2/20 0.43
EPHX2 P34913 2/20 0.42
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
PRKAA2 P54646 2/20 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
SCHEMBL3666701 0.93 CHRNA7 (0.45) UTS2RCHRNA7HTR3ATEAD1EPHX2
SCHEMBL647504 0.90 UTS2R (0.46) UTS2RCHRNA7HTR3ATEAD1
SCHEMBL651149 0.89 UTS2R (0.56) UTS2RCHRNA7HTR3ATEAD1MEN1
SCHEMBL647404 0.85 UTS2R (0.56) UTS2RTEAD1
SCHEMBL649121 0.83 CHRNA7 (0.44) UTS2RCHRNA7
SCHEMBL649739 0.83 UTS2R (0.51) UTS2RCHRNA7TEAD1
SCHEMBL16194601 0.81 PRKAA2 (0.48) EPHX2PRKAA2
SCHEMBL4403520 0.81 GPR119 (0.52) UTS2REPHX2MEN1KMT2A
SCHEMBL647341 0.80 UTS2R (0.52) UTS2RTEAD1
SCHEMBL648921 0.79 CHRM4 (0.50) UTS2RPRKAA2

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