SCHEMBL7958574

SCHEMBL7958574

O=C(O)c1cccc2c1OCCN2Cc1ccncc1Cc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
PTGIR P43119 1/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
BRD4 O60885 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
F10 P00742 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
SCHEMBL7971101 0.79 FNTA (0.48) TSHRPTGIRFNTAFNTB
SCHEMBL14785259 0.72 GPBAR1 (0.41) PTGIRDRD2DRD4BRD4GPBAR1
SCHEMBL7968423 0.71 FNTA (0.49) FNTAFNTB
SCHEMBL7971638 0.71 FNTA (0.47) MAPTFNTAFNTB
SCHEMBL7268995 0.71 SLC5A2 (0.44) TSHRDRD2DRD4MAPTF10
SCHEMBL14785193 0.70 PTGER1 (0.45) PTGIRKDM4CKDM5AKDM5BDRD2
SCHEMBL14785447 0.70 PTGIR (0.39) PTGIRDRD2DRD4BRD4
SCHEMBL14785278 0.70 PTGER1 (0.48)
SCHEMBL14785265 0.69 PTGER1 (0.42) TSHRPTGIRBRD4MEN1KMT2A
SCHEMBL14785069 0.69 MRGPRX4 (0.48)

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-2001009127-A1 BENZOXAZINE DERIVATIVES AND THEIR THERAPEUTIC USE AVENTIS PHARMA S.A. (FR) 2001-02-08 WO disclosed