SCHEMBL8195090

SCHEMBL8195090

COc1ccc(C)c(C(=O)N(Cc2ccc(N3CCN(C)CC3)nc2)c2ccc(F)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
QPCT Q16769 1/20 0.40
PRKAA2 P54646 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
PPARA Q07869 1/20 0.39
ME2 P23368 1/20 0.39
ME1 P48163 1/20 0.39
ME3 Q16798 1/20 0.39
PDK1 Q15118 4/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
TACR1 P25103 1/20 0.38
OPRM1 P35372 1/20 0.38
PPARG P37231 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
KMT2A Q03164 2/20 0.37

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
SCHEMBL3829727 0.92 QPCT (0.43) L3MBTL1QPCTPRKAA2DRD2DRD1
SCHEMBL3824125 0.91 L3MBTL1 (0.44) L3MBTL1DRD2DRD1DRD5DRD3
SCHEMBL3831333 0.87 HSD17B10 (0.49) L3MBTL1PRKAA2ME2ME1ME3
SCHEMBL3860025 0.86 L3MBTL1 (0.53) L3MBTL1DRD2DRD1DRD5DRD3
SCHEMBL3823083 0.85 VNN1 (0.48) PRKAA2HSD17B10LMNATP53KMT2A
SCHEMBL3858086 0.85 QPCT (0.43) QPCTDRD2DRD1DRD5DRD3
SCHEMBL3823072 0.84 KDM4E (0.45) L3MBTL1DRD2DRD1DRD5DRD3
SCHEMBL3830922 0.84 L3MBTL1 (0.43) L3MBTL1QPCTDRD2DRD1DRD5
SCHEMBL3823358 0.82 HTR1A (0.40) QPCTDRD2DRD3PDK1OPRM1
SCHEMBL3823632 0.81 L3MBTL1 (0.45) L3MBTL1DRD2DRD1DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed