SCHEMBL70618

SCHEMBL70618

O=C(NCC(=O)N1CC(Oc2cccc(C(F)(F)F)c2)C1)c1cc(-c2cccnc2)[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.45
KCNH2 Q12809 3/20 0.45
SCN9A Q15858 2/20 0.40
DGAT2 Q96PD7 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
PIM1 P11309 1/20 0.38
DYRK1A Q13627 1/20 0.38
KIT P10721 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
SCHEMBL29385052 1.00 CCR2 (0.45) CCR2KCNH2SCN9ADGAT2GRIN1
SCHEMBL70204 0.92 CCR2 (0.47) CCR2KCNH2
SCHEMBL29381956 0.92 CCR2 (0.47) CCR2KCNH2
SCHEMBL69059 0.91 EPHX2 (0.41) CCR2SCN9AGRIN1GRIN2B
SCHEMBL29381918 0.91 EPHX2 (0.41) CCR2SCN9AGRIN1GRIN2B
SCHEMBL70427 0.85 EPHX2 (0.46) CCR2KCNH2SCN9A
SCHEMBL29384502 0.85 EPHX2 (0.46) CCR2KCNH2SCN9A
SCHEMBL29382083 0.83 EPHX2 (0.49) CCR2
SCHEMBL68443 0.83 EPHX2 (0.49) CCR2
SCHEMBL70272 0.82 SCN9A (0.39) CCR2SCN9A

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
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed