SCHEMBL18768209

SCHEMBL18768209

COc1cccc(CC(C)(C)N2CCC(CNCC(F)(F)F)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ CASR P41180 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ UTS2R Q9UKP6 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL18768166 0.86 MAOA (0.39) CASRKMT2A
SCHEMBL18767431 0.85 MEN1 (0.46) KMT2AMEN1ALDH1A1
SCHEMBL18767433 0.81 HTR1A (0.46) HTR1ASLC6A4
SCHEMBL18768210 0.81 ACACB (0.47) KMT2AMEN1ALDH1A1
SCHEMBL18766912 0.74 MAOA (0.40) CASRKMT2A
SCHEMBL18768208 0.71 MEN1 (0.43) KMT2AMEN1
SCHEMBL18767434 0.71 OPRD1 (0.45) —
SCHEMBL22827424 0.69 TAAR1 (0.55) ALDH1A1
SCHEMBL1965727 0.68 CHRM2 (0.60) ADRA1DADRA1AADRA1BKMT2AMEN1
SCHEMBL18766905 0.66 KMT2A (0.54) KMT2AMEN1

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
WO-2017066705-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AGAINST STRESS GRANULES AQUINNAH PHARMACEUTICALS, INC. (US) 2017-04-20 — — WO disclosed
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