SCHEMBL3664555

SCHEMBL3664555

O=C(NC1CCN(Cc2ccncc2)C(I)C1)c1ccnc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD4 P21917 3/20 0.40
SLC6A5 Q9Y345 5/20 0.39
F10 P00742 1/20 0.38
MDM2 Q00987 2/20 0.38
SSTR5 P35346 1/20 0.38
DRD2 P14416 2/20 0.37
HTR2A P28223 1/20 0.37
RORC P51449 1/20 0.37
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
PRMT5 O14744 2/20 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
SCHEMBL3668637 0.94 PRKAA2 (0.43) MEN1KMT2ADRD4SLC6A5F10
SCHEMBL3665131 0.92 PRKAA2 (0.43) DRD4SLC6A5F10RORC
SCHEMBL3661407 0.90 SLC6A5 (0.42) KMT2ADRD4SLC6A5MDM2DRD2
SCHEMBL4441003 0.88 DRD4 (0.43) KMT2ADRD4SLC6A5F10DRD2
SCHEMBL647123 0.88 DRD4 (0.53) DRD4SLC6A5SSTR5DRD2HTR2A
SCHEMBL3660163 0.87 F10 (0.39) DRD4SLC6A5F10MDM2RORC
SCHEMBL3666588 0.87 SSTR5 (0.42) DRD4SLC6A5F10SSTR5DRD2
SCHEMBL3662737 0.85 MDM2 (0.41) DRD4SLC6A5F10MDM2DRD2
SCHEMBL647932 0.82 DRD4 (0.53) DRD4SLC6A5SSTR5
SCHEMBL3667429 0.81 SLC6A4 (0.40) DRD4SLC6A5F10

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