SCHEMBL20536700

SCHEMBL20536700

CC(CCC(=O)O)c1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.47
ACP3 P15309 1/20 0.44
PTGFR P43088 6/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNA1C Q13936 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
EPHX2 P34913 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL17189664 0.84 CNR2 (0.49) CNR2ACP3FFAR1FFAR4HPGD
SCHEMBL16442475 0.82 P2RX7 (0.42) CNR2ACP3HPGDSMN1; SMN2ALDH1A1
SCHEMBL21311456 0.82 P2RX7 (0.42) CNR2ACP3HPGDSMN1; SMN2ALDH1A1
SCHEMBL21632043 0.79 CNR2 (0.45) CNR2ACP3PTGFRFFAR1FFAR4
SCHEMBL21631985 0.79 CNR2 (0.45) CNR2ACP3PTGFRFFAR1FFAR4
SCHEMBL27728236 0.79 CPA3 (0.45) CNR2SMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL16004213 0.78 P2RX7 (0.42) CNR2ACP3HPGDALDH1A1
SCHEMBL20534680 0.78 PTGFR (0.43) PTGFRFFAR1FFAR4SMN1; SMN2EPHX2
SCHEMBL20534572 0.78 FFAR4 (0.45) PTGFRFFAR1FFAR4HPGDSMN1; SMN2
SCHEMBL20534750 0.77 CYP1A2 (0.43) ACP3ALDH1A1CYP1A2CYP2D6TSHR

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-3609870-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed
WO-2018189012-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-10-18 WO disclosed