SCHEMBL21708537

SCHEMBL21708537

CCCC(F)OC(=O)CCC(CN)c1cc(F)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
SLC6A3 Q01959 1/20 0.31
GAA P10253 1/20 0.31
MC4R P32245 1/20 0.31
MAPT P10636 1/20 0.31
MDM2 Q00987 1/20 0.31

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
SCHEMBL21708593 0.91 CES2 (0.34) MAPT
SCHEMBL21708517 0.90 PTGFR (0.35) PTGFRSLC6A3GAAMAPT
SCHEMBL21708509 0.87 NISCH (0.36) PTGFRL3MBTL1GAA
Hydrochloric Acid SCHEMBL21708570 0.86 NISCH (0.35) PTGFRL3MBTL1GAA
SCHEMBL21708700 0.84 CES2 (0.34) PTGFR
SCHEMBL21708481 0.82 GAA (0.32) PTGFRL3MBTL1GAA
SCHEMBL21708464 0.82 PTGFR (0.35) PTGFRL3MBTL1MC4R
SCHEMBL21708569 0.82 KMT2A (0.33) PTGFRL3MBTL1SLC6A3MDM2
SCHEMBL21708612 0.81 TAS1R3 (0.32) L3MBTL1GAA
SCHEMBL21708658 0.81 TAS1R3 (0.34) PTGFRGAAMC4R

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-3609869-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed
EP-3609870-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed