SCHEMBL3663526

SCHEMBL3663526

N#Cc1ccccc1CN1CCC(NC(=O)c2cc3ccc(OC4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3s2)CC1I

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.40
UTS2R Q9UKP6 7/20 0.37
CHRNA7 P36544 2/20 0.36
DRD4 P21917 1/20 0.35
CASR P41180 2/20 0.34
LIPE Q05469 1/20 0.34
EPHX2 P34913 1/20 0.34
PRKAA2 P54646 1/20 0.34
HRH1 P35367 1/20 0.33
CCR3 P51677 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL650752 0.90 UTS2R (0.45) ARUTS2RDRD4
SCHEMBL3665359 0.89 UTS2R (0.45) ARUTS2RCHRNA7DRD4EPHX2
SCHEMBL3666382 0.88 UTS2R (0.44) ARUTS2RCHRNA7CASRPRKAA2
SCHEMBL3665902 0.87 AR (0.41) ARUTS2RDRD4CASRLIPE
SCHEMBL3663620 0.86 UTS2R (0.41) UTS2RCHRNA7DRD4
SCHEMBL3659196 0.86 RAB9A (0.39) UTS2RCHRNA7DRD4
SCHEMBL4402673 0.81 UTS2R (0.47) ARUTS2RDRD4HRH1CCR3
SCHEMBL3669184 0.81 AR (0.39) ARCASR
SCHEMBL648321 0.79 UTS2R (0.56) UTS2RDRD4PRKAA2
SCHEMBL648492 0.79 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