SCHEMBL17295461

SCHEMBL17295461

CCn1cncc1CN(CCCc1ccc(-c2ccccc2C(N)=O)cc1)c1cc(F)c(C#N)cc1F

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LTB4R2 Q9NPC1 3/20 0.36
▸ FNTA P49354 3/20 0.35
▸ FNTB P49356 3/20 0.35
▸ PGGT1B P53609 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ LPAR1 Q92633 3/20 0.34
▸ PPARG P37231 4/20 0.34

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
SCHEMBL17295165 0.91 FNTA (0.40) LTB4R2FNTAFNTBPGGT1BLPAR1
SCHEMBL17295151 0.81 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL17295300 0.80 FNTA (0.41) LTB4R2FNTAFNTBPGGT1B
SCHEMBL17295206 0.78 FNTA (0.43) FNTAFNTBPGGT1B
SCHEMBL17295207 0.76 FNTA (0.53) FNTAFNTBPGGT1B
SCHEMBL17295235 0.76 FNTA (0.42) FNTAFNTBPGGT1B
SCHEMBL17295342 0.73 FNTA (0.44) FNTAFNTBPGGT1B
SCHEMBL17301808 0.72 FNTA (0.42) LTB4R2FNTAFNTBPGGT1B
SCHEMBL17295383 0.72 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL17301900 0.72 FNTA (0.40) FNTAFNTBPGGT1B

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-2015181272-A1 RAB GERANYLGERANYL TRANSFERASE INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2015-12-03 — — WO disclosed
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