SCHEMBL21708674

SCHEMBL21708674

CCCC(F)OC(=O)C(C)(C#N)c1c(F)cccc1F

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.33
ADRB1 P08588 3/20 0.33
ADRB3 P13945 3/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
KAT6A Q92794 2/20 0.31
PRSS1 P07477 1/20 0.31
CTSG P08311 1/20 0.31
CTRB1 P17538 1/20 0.31
CMA1 P23946 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL21708691 0.92 LMNA (0.36) ADRB2ADRB1ADRB3LMNAKMT2A
SCHEMBL21708773 0.79 TAS1R3 (0.33) ADRB2ADRB1ADRB3TAS1R3TAS1R1
SCHEMBL21708762 0.77 KMT2A (0.37) TAS1R3TAS1R1PRSS1CTSGCTRB1
SCHEMBL21708771 0.76 SMN1; SMN2 (0.34) LMNAMEN1KMT2AL3MBTL1
SCHEMBL21656328 0.76 CTSS (0.38) CTSSCTSKLMNA
SCHEMBL21708769 0.75 TAS1R3 (0.34) TAS1R3TAS1R1KAT6ACTSSCTSK
SCHEMBL21708765 0.75 PLCG1 (0.33) PRSS1CTSGCTRB1CMA1MEN1
SCHEMBL21708708 0.74 SMN1; SMN2 (0.33) TAS1R3TAS1R1LMNAMEN1KMT2A
SCHEMBL21632056 0.72 CES2 (0.36) KAT6ACTSSCTSKLMNAKMT2A
SCHEMBL21656171 0.68 LMNA (0.40) CTSSCTSKLMNA

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