SCHEMBL6535972

SCHEMBL6535972

O=Cc1c(OC(F)(F)F)cccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.43
SCN9A Q15858 12/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
DRD1 P21728 2/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 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
SCHEMBL30749700 0.84 MEN1 (0.37) KDM4EDRD1DRD2DRD4DRD5
SCHEMBL29209371 0.84 MEN1 (0.37) KDM4EDRD1DRD2DRD4DRD5
SCHEMBL27908143 0.79 FFAR4 (0.40) FFAR4SCN9AL3MBTL1KDM4EMAPT
SCHEMBL29788132 0.79 FFAR4 (0.55) FFAR4SCN9AL3MBTL1KDM4EMAPT
SCHEMBL306822 0.79 FFAR4 (0.55) FFAR4SCN9AL3MBTL1KDM4EMAPT
SCHEMBL9754385 0.78 ERN1 (0.45) L3MBTL1KDM4EMAPTALDH1A1MEN1
SCHEMBL27660143 0.78 KDM4E (0.46) FFAR4SCN9AL3MBTL1KDM4EMAPT
SCHEMBL954787 0.76 MEN1 (0.53) ALDH1A1MEN1RAB9AKMT2A
SCHEMBL25219191 0.76 SCN9A (0.46) FFAR4SCN9AL3MBTL1KDM4EMAPT
SCHEMBL31023976 0.76 ERN1 (0.36) SCN9AKDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 WO disclosed