SCHEMBL20837595

SCHEMBL20837595

CCOCc1ccc(Oc2ccc(Cl)cc2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 9/20 0.43
▸ SLC6A4 P31645 9/20 0.43
▸ KCNH2 Q12809 9/20 0.43
▸ MMP14 P50281 1/20 0.39
▸ MAOA P21397 2/20 0.38
▸ MAOB P27338 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ SOS1 Q07889 2/20 0.36
▸ AR P10275 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35

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
SCHEMBL20837458 0.84 HTR2A (0.47) HTR2ASLC6A4KCNH2MAOAMAOB
SCHEMBL16663979 0.79 HTR2A (0.48) HTR2ASLC6A4KCNH2MAOAMAOB
SCHEMBL16663703 0.78 HTR2A (0.43) HTR2ASLC6A4KCNH2MAOAMAOB
SCHEMBL26420789 0.76 HPD (0.38) HTR2ASLC6A4KCNH2
SCHEMBL9450687 0.74 XDH (0.43) MMP14MAOAMAOBALDH1A1MAPT
SCHEMBL7857224 0.74 MMP14 (0.40) HTR2ASLC6A4KCNH2MMP14MAOA
SCHEMBL12874169 0.73 IDO1 (0.60) SLC6A4MAOBALDH1A1
SCHEMBL8476320 0.73 HTR2A (0.40) HTR2ASLC6A4KCNH2MAOAMAOB
SCHEMBL28659130 0.70 HTR2A (0.50) HTR2ASLC6A4KCNH2MAOAMAOB
SCHEMBL2093599 0.70 PYCR1 (0.44) ALDH1A1

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
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