SCHEMBL15435356

SCHEMBL15435356

O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)CCN(CCc1ccc(Cl)cc1)C2

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MOGAT2 Q3SYC2 19/20 0.78
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
CYP2C19 P33261 1/20 0.49
DRD3 P35462 1/20 0.49
HTR6 P50406 1/20 0.49

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
SCHEMBL16715483 0.94 MOGAT2 (0.70) MOGAT2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15435261 0.90 MOGAT2 (0.81) MOGAT2
SCHEMBL16715479 0.90 MOGAT2 (0.77) MOGAT2
SCHEMBL15435191 0.89 MOGAT2 (0.75) MOGAT2DRD2DRD3HTR6
SCHEMBL15399493 0.89 MOGAT2 (0.84) MOGAT2
SCHEMBL15435246 0.88 MOGAT2 (0.77) MOGAT2
SCHEMBL15399787 0.88 MOGAT2 (1.00) MOGAT2
SCHEMBL16715478 0.86 MOGAT2 (0.75) MOGAT2
SCHEMBL15435408 0.84 MOGAT2 (0.57) MOGAT2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16715563 0.84 MOGAT2 (0.72) MOGAT2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2687507-B1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2016-03-09 EP disclosed
US-9035059-B2 Nitrogen-containing condensed heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-19 US disclosed
US-9035059-B2 Nitrogen-containing condensed heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-19 US disclosed
EP-2687507-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2014-01-22 EP disclosed