SCHEMBL3124136

SCHEMBL3124136

Fc1ccc2[nH]c([C@@H]3CCCC[N]3)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.38
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
GFER P55789 1/20 0.35
MLLT1 Q03111 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32

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
SCHEMBL3250003 1.00 MPO (0.38) MPOKMT2ANPC1RAB9AKDM4E
SCHEMBL5598283 0.80 BCHE (0.43) KMT2ANPC1RAB9AKDM4EMAPT
SCHEMBL4350354 0.76 MPO (0.38) MPOKMT2AKDM4EALDH1A1HCRTR1
SCHEMBL2356273 0.75 KMT2A (0.43) MPOKMT2ANPC1RAB9AKDM4E
SCHEMBL13350394 0.75 SCN10A (0.51) KMT2ACYP2D6
SCHEMBL2491468 0.75 NPC1 (0.43) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL3129007 0.74 NPC1 (0.41) MPOKMT2ANPC1RAB9AKDM4E
SCHEMBL15452944 0.73 SCN10A (0.55) MPO
SCHEMBL10153356 0.73 SCN10A (0.55) MPO
SCHEMBL1298735 0.72 PARP1 (0.49) MPOKMT2ANPC1RAB9AKDM4E

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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed