SCHEMBL27969366

SCHEMBL27969366

NCc1ccccc1CCc1cccc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.61
MAOB P27338 4/20 0.46
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
MPO P05164 2/20 0.44
SLC6A3 Q01959 2/20 0.44
DAO P14920 2/20 0.43
DRD2 P14416 1/20 0.41
SLC6A4 P31645 1/20 0.41
NR3C2 P08235 1/20 0.41

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
SCHEMBL27969120 0.83 LOXL2 (0.50) TAAR1MAOB
SCHEMBL4221500 0.82 TAAR1 (0.56) TAAR1MAOBIDO1AGXTMPO
SCHEMBL28812860 0.81 TAAR1 (0.70) TAAR1MAOBIDO1AGXTSLC6A3
SCHEMBL3371633 0.80 TAAR1 (0.74) TAAR1IDO1AGXTSLC6A3DAO
SCHEMBL8107779 0.80 TAAR1 (0.69) TAAR1MAOBIDO1AGXTDRD2
SCHEMBL8707811 0.79 MPO (0.68) TAAR1MPOSLC6A3DAO
SCHEMBL16191821 0.79 TAAR1 (0.52) TAAR1IDO1AGXTMPOSLC6A3
SCHEMBL5506703 0.79 TAAR1 (0.56) TAAR1MAOBIDO1AGXTMPO
SCHEMBL8061521 0.78 HTR2A (0.54) TAAR1MAOBDRD2
SCHEMBL8591746 0.78 TAAR1 (0.65) TAAR1MAOBIDO1AGXTSLC6A3

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
CN-104025364-A Organic electrolyte, and organic electrolyte storage battery JX NIPPON OIL & ENERGY CORP 2014-09-03 CN disclosed
CN-104011928-A Organic electrolyte, and organic electrolyte storage battery JX NIPPON OIL & ENERGY CORP 2014-08-27 CN disclosed