SCHEMBL3659196

SCHEMBL3659196

O=C(NC1CCN(Cc2ccccn2)C(I)C1)c1cc2ccc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2s1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.39
▸ DRD4 P21917 2/20 0.38
▸ UTS2R Q9UKP6 2/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CHRNA7 P36544 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ LPL P06858 1/20 0.36
▸ LIPC P11150 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ SLC5A7 Q9GZV3 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35

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
SCHEMBL3663620 0.90 UTS2R (0.41) DRD4UTS2RCHRNA7
SCHEMBL649439 0.89 DRD4 (0.49) RAB9ADRD4UTS2RKMT2AMEN1
SCHEMBL3665282 0.86 SLC6A4 (0.41) RAB9ADRD4KMT2AMEN1NPC1
SCHEMBL3663526 0.86 AR (0.40) DRD4UTS2RCHRNA7
SCHEMBL3665359 0.85 UTS2R (0.45) DRD4UTS2RCHRNA7
SCHEMBL3666382 0.84 UTS2R (0.44) UTS2RCHRNA7
SCHEMBL4408257 0.80 DRD4 (0.51) RAB9ADRD4UTS2RNPC1LMNA
SCHEMBL647341 0.80 UTS2R (0.52) DRD4UTS2R
SCHEMBL3666701 0.78 CHRNA7 (0.45) DRD4UTS2RCHRNA7
SCHEMBL649739 0.78 UTS2R (0.51) UTS2RCHRNA7

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
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