SCHEMBL15435408

SCHEMBL15435408

N[C@@H](Cc1ccc(Cl)cc1)CN1CCc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MOGAT2 Q3SYC2 7/20 0.57
DRD2 P14416 3/20 0.43
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
DRD3 P35462 3/20 0.43
HTR6 P50406 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MLNR O43193 1/20 0.43
PNMT P11086 5/20 0.42
MAPT P10636 3/20 0.41
PKM P14618 1/20 0.41
ABCB1 P08183 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL15435172 0.90 MOGAT2 (0.56) MOGAT2DRD2HTR2CDRD3HTR6
SCHEMBL16715484 0.85 AR (0.55) MOGAT2PKMMEN1KMT2A
SCHEMBL15435356 0.84 MOGAT2 (0.78) MOGAT2DRD2HTR2AHTR2CDRD3
SCHEMBL16715483 0.83 MOGAT2 (0.70) MOGAT2DRD2HTR2AHTR2CDRD3
SCHEMBL15435427 0.78 MOGAT2 (0.63) MOGAT2HTR2CHTR6PKMABCB1
SCHEMBL15435247 0.77 MOGAT2 (0.69) MOGAT2ABCB1MEN1KMT2A
SCHEMBL16715479 0.76 MOGAT2 (0.77) MOGAT2
SCHEMBL16715492 0.76 MOGAT2 (0.59) MOGAT2DRD2DRD3HTR6CYP2D6
SCHEMBL15435300 0.76 MOGAT2 (0.83) MOGAT2ABCB1
SCHEMBL15435209 0.76 MOGAT2 (0.63) MOGAT2PKMABCB1KDM4EMEN1

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