SCHEMBL21452785

SCHEMBL21452785

CC(=O)NC1CCN(c2ccnc(-c3ccc(OC(F)(F)F)c(F)c3)c2)C[C@@H]1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SSTR1 P30872 1/20 0.41
▸ SSTR4 P31391 1/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ PDE2A O00408 4/20 0.39
▸ TRPA1 O75762 2/20 0.39
▸ TRPV4 Q9HBA0 1/20 0.39
▸ EPHX2 P34913 3/20 0.37
▸ CCNC P24863 2/20 0.37
▸ CDK8 P49336 2/20 0.37
▸ ACACB O00763 1/20 0.37
▸ SMPD3 Q9NY59 1/20 0.37
▸ ABL1 P00519 2/20 0.37
▸ HRH4 Q9H3N8 1/20 0.36
▸ ITGB2 P05107 1/20 0.36
▸ ICAM1 P05362 1/20 0.36
▸ ITGAL P20701 1/20 0.36
▸ NTRK1 P04629 1/20 0.36

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
SCHEMBL21452717 1.00 SSTR1 (0.41) SSTR1SSTR4CHRM2CHRM5CHRM1
SCHEMBL21433940 1.00 SSTR1 (0.41) SSTR1SSTR4CHRM2CHRM5CHRM1
SCHEMBL21452391 1.00 SSTR1 (0.41) SSTR1SSTR4CHRM2CHRM5CHRM1
SCHEMBL21433939 1.00 SSTR1 (0.41) SSTR1SSTR4CHRM2CHRM5CHRM1
SCHEMBL21434042 1.00 SSTR1 (0.41) SSTR1SSTR4CHRM2CHRM5CHRM1
SCHEMBL21433945 0.91 ABL1 (0.38) CHRM2CHRM5CHRM1CHRM3PDE2A
SCHEMBL21452611 0.91 SSTR4 (0.42) SSTR1SSTR4CHRM2CHRM5CHRM1
SCHEMBL21433976 0.91 SSTR4 (0.42) SSTR1SSTR4CHRM2CHRM5CHRM1
SCHEMBL21433941 0.91 ABL1 (0.38) CHRM2CHRM5CHRM1CHRM3PDE2A
SCHEMBL21452643 0.91 ABL1 (0.38) CHRM2CHRM5CHRM1CHRM3PDE2A

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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