SCHEMBL21452915

SCHEMBL21452915

N=C/C(=C\N)C1CCN(c2ccnc(-c3ccc(OC(F)(F)F)c(F)c3)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.37
▸ CHRM2 P08172 4/20 0.36
▸ SCN9A Q15858 2/20 0.35
▸ CHRM4 P08173 2/20 0.35
▸ FAAH O00519 1/20 0.35
▸ CHRM1 P11229 3/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ EPHX2 P34913 2/20 0.34
▸ MALT1 Q9UDY8 1/20 0.34
▸ ABL1 P00519 2/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.33
▸ TMPRSS15 P98073 1/20 0.33
▸ NOTUM Q6P988 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
SCHEMBL21433991 0.85 SCN9A (0.46) FFAR4CHRM2SCN9ACHRM4CHRM1
SCHEMBL21434015 0.83 ABL1 (0.42) FFAR4CHRM2CHRM4FAAHNTRK1
SCHEMBL21452938 0.80 MAPK1 (0.39) FFAR4CHRM2FAAHCHRM1NTRK1
SCHEMBL21434003 0.79 FAAH (0.41) FAAHALOX5APFEN1TRPA1TRPV4
SCHEMBL21434034 0.78 EPHX2 (0.44) FFAR4CHRM2CHRM4CHRM1NTRK1
SCHEMBL21452940 0.76 ABL1 (0.42) FAAHABL1
SCHEMBL21433960 0.76 EPHX2 (0.46) CHRM4EPHX2TRPA1TRPV4
SCHEMBL21433990 0.76 EPHX2 (0.44) FFAR4CHRM2CHRM4CHRM1NTRK1
SCHEMBL21433926 0.76 HTR2B (0.41) FFAR4CHRM2SCN9AFAAHNTRK1
SCHEMBL21452690 0.75 CHEK1 (0.44) NTRK1

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-2019193516-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 — — WO disclosed
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