SCHEMBL3666588

SCHEMBL3666588

O=C(NC1CCN(Cc2ccncc2)C(I)C1)c1cncc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.42
SLC6A5 Q9Y345 5/20 0.40
DRD4 P21917 2/20 0.40
PRKAA2 P54646 3/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
RORC P51449 1/20 0.38
AR P10275 1/20 0.38
F10 P00742 1/20 0.38
DRD2 P14416 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
ADRB2 P07550 1/20 0.36

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
SCHEMBL3665414 0.93 SLC6A5 (0.50) SSTR5SLC6A5DRD4PRMT5WDR77
SCHEMBL3662808 0.92 PRKAA2 (0.46) SSTR5SLC6A5PRKAA2RORCAR
SCHEMBL4441003 0.91 DRD4 (0.43) SLC6A5DRD4ARF10DRD2
SCHEMBL649704 0.88 SSTR5 (0.54) SSTR5SLC6A5DRD4PRKAA2DRD2
SCHEMBL3661407 0.87 SLC6A5 (0.42) SLC6A5DRD4PRKAA2RORCDRD2
SCHEMBL3664555 0.87 MEN1 (0.40) SSTR5SLC6A5DRD4PRMT5RORC
SCHEMBL3660163 0.87 F10 (0.39) SLC6A5DRD4PRKAA2RORCF10
SCHEMBL3667429 0.84 SLC6A4 (0.40) SLC6A5DRD4PRKAA2ARF10
SCHEMBL3663620 0.84 UTS2R (0.41) SLC6A5DRD4F10
SCHEMBL3666339 0.84 SLC6A4 (0.40) SLC6A5DRD4PRKAA2ARF10

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