SCHEMBL20837699

SCHEMBL20837699

CCOCc1ccc(CCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.53
▸ TAAR1 Q96RJ0 1/20 0.50
▸ MAOB P27338 6/20 0.49
▸ DAO P14920 4/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ MIF P14174 1/20 0.42

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
SCHEMBL3434078 0.94 IDO1 (0.59) IDO1TAAR1MAOBKMT2A
SCHEMBL27830060 0.83 TAAR1 (0.52) IDO1TAAR1MAOBDAOKMT2A
SCHEMBL492736 0.82 IDO1 (0.68) IDO1TAAR1MAOBKMT2A
SCHEMBL934227 0.79 TAAR1 (0.73) IDO1TAAR1MAOBDAOMIF
SCHEMBL10264232 0.79 IDO1 (0.55) IDO1TAAR1MAOBKMT2A
SCHEMBL23014850 0.77 TAAR1 (0.46) IDO1TAAR1MAOBDAOMIF
SCHEMBL133476 0.77 TSHR (0.48) IDO1
SCHEMBL20444746 0.76 IDO1 (0.52) IDO1TAAR1MAOBKMT2A
SCHEMBL8251933 0.76 APP (0.50) KMT2A
Hydroxyamine SCHEMBL8924228 0.76 IDO1 (0.67) IDO1TAAR1MAOBKMT2A

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-3059224-B1 4-AMINOMETHYLBENZOIC ACID DERIVATIVE TOA EIYO LTD (JP) 2019-03-20 — — EP disclosed
Send feedback