SCHEMBL20714726

SCHEMBL20714726

Cc1cccc(COC(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.58
MAOB P27338 5/20 0.49
TAAR1 Q96RJ0 1/20 0.46
MAOA P21397 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
FFAR1 O14842 1/20 0.41
ACHE P22303 1/20 0.41
HTR6 P50406 1/20 0.40
POLB P06746 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40

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
SCHEMBL8750484 0.82 IDO1 (0.60) IDO1MAOBTAAR1MAOAALDH1A1
SCHEMBL23639417 0.79 IDO1 (0.56) IDO1MAOBTAAR1MAOAALDH1A1
SCHEMBL13184971 0.78 IDO1 (0.55) IDO1MAOBTAAR1MAOAALDH1A1
SCHEMBL12093568 0.78 IDO1 (0.61) IDO1MAOBTAAR1HRH3
SCHEMBL6667381 0.77 IDO1 (0.69) IDO1MAOBTAAR1MAOAHRH3
SCHEMBL7337949 0.77 IDO1 (0.58) IDO1MAOBTAAR1MAOAALDH1A1
SCHEMBL29417598 0.77 IDO1 (0.53) IDO1MAOBTAAR1MAOAALDH1A1
SCHEMBL16004817 0.77 IDO1 (0.53) IDO1MAOBTAAR1MAOAALDH1A1
SCHEMBL30253988 0.75 IDO1 (0.67) IDO1MAOBTAAR1MAOAALDH1A1
SCHEMBL12379 0.75 IDO1 (0.67) IDO1MAOBTAAR1MAOAALDH1A1

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
WO-2019179928-A1 SUBSTITUTED SUCCINIMIDE-3-CARBOXAMIDES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-26 WO disclosed
WO-2019025156-A1 SUBSTITUTED PYRROLIDINONES, SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-02-07 WO disclosed