SCHEMBL3666701

SCHEMBL3666701

O=C(NC1CCN(C(=O)O)CC1)c1cc2ccc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2s1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.45
UTS2R Q9UKP6 4/20 0.43
EPHX2 P34913 2/20 0.42
TEAD1 P28347 1/20 0.41
PRSS12 P56730 1/20 0.40
PRKAA2 P54646 2/20 0.39
HTR3A P46098 1/20 0.39
DRD4 P21917 1/20 0.38

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
SCHEMBL3666601 0.93 UTS2R (0.48) CHRNA7UTS2REPHX2TEAD1PRKAA2
SCHEMBL649121 0.90 CHRNA7 (0.44) CHRNA7UTS2R
SCHEMBL649739 0.89 UTS2R (0.51) CHRNA7UTS2RTEAD1
SCHEMBL647341 0.86 UTS2R (0.52) UTS2RTEAD1DRD4
SCHEMBL647504 0.83 UTS2R (0.46) CHRNA7UTS2RTEAD1HTR3A
SCHEMBL649439 0.83 DRD4 (0.49) UTS2RDRD4
SCHEMBL648321 0.83 UTS2R (0.56) UTS2RPRKAA2DRD4
SCHEMBL651149 0.83 UTS2R (0.56) CHRNA7UTS2RTEAD1HTR3A
SCHEMBL650752 0.82 UTS2R (0.45) UTS2RDRD4
SCHEMBL648492 0.81 UTS2R (0.54) UTS2RDRD4

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