SCHEMBL3662737

SCHEMBL3662737

O=C(NC1CCN(Cc2ccncc2)C(I)C1)c1cccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.41
HSD11B1 P28845 1/20 0.39
DRD4 P21917 3/20 0.38
PRKAA2 P54646 1/20 0.38
F10 P00742 1/20 0.38
SLC6A5 Q9Y345 2/20 0.37
CHRM2 P08172 2/20 0.37
DRD2 P14416 1/20 0.36
USP30 Q70CQ3 2/20 0.36
F2R P25116 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
SCHEMBL647173 0.88 PRKAA2 (0.52) DRD4PRKAA2SLC6A5CHRM2DRD2
SCHEMBL3664555 0.85 MEN1 (0.40) MDM2DRD4F10SLC6A5DRD2
SCHEMBL3661407 0.85 SLC6A5 (0.42) MDM2DRD4PRKAA2SLC6A5DRD2
SCHEMBL4441003 0.85 DRD4 (0.43) DRD4F10SLC6A5DRD2
SCHEMBL3660163 0.85 F10 (0.39) MDM2DRD4PRKAA2F10SLC6A5
SCHEMBL3798034 0.83 SLC6A5 (0.50) PRKAA2SLC6A5
SCHEMBL3666588 0.82 SSTR5 (0.42) DRD4PRKAA2F10SLC6A5DRD2
SCHEMBL3666339 0.82 SLC6A4 (0.40) DRD4PRKAA2F10SLC6A5DRD2
SCHEMBL3667429 0.81 SLC6A4 (0.40) DRD4PRKAA2F10SLC6A5
SCHEMBL3663620 0.81 UTS2R (0.41) DRD4F10SLC6A5

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