SCHEMBL3663620

SCHEMBL3663620

O=C(NC1CCN(Cc2ccncc2)C(I)C1)c1cc2ccc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2s1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 10/20 0.41
CHRNA7 P36544 2/20 0.39
DRD4 P21917 1/20 0.38
F10 P00742 1/20 0.36
SLC6A5 Q9Y345 3/20 0.35
ROCK2 O75116 1/20 0.34

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
SCHEMBL3665359 0.91 UTS2R (0.45) UTS2RCHRNA7DRD4
SCHEMBL3659196 0.90 RAB9A (0.39) UTS2RCHRNA7DRD4
SCHEMBL647341 0.89 UTS2R (0.52) UTS2RDRD4SLC6A5
SCHEMBL3666382 0.88 UTS2R (0.44) UTS2RCHRNA7
SCHEMBL3667429 0.87 SLC6A4 (0.40) UTS2RDRD4F10SLC6A5
SCHEMBL3663526 0.86 AR (0.40) UTS2RCHRNA7DRD4
SCHEMBL4441003 0.85 DRD4 (0.43) DRD4F10SLC6A5
SCHEMBL3660163 0.85 F10 (0.39) DRD4F10SLC6A5
SCHEMBL3666339 0.85 SLC6A4 (0.40) UTS2RCHRNA7DRD4F10SLC6A5
SCHEMBL647404 0.84 UTS2R (0.56) UTS2RDRD4SLC6A5

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