SCHEMBL27873899

SCHEMBL27873899

O=CC1CCN(c2cccc(Cc3ccccc3)c2)N1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ HRH1 P35367 1/20 0.36
▸ ALOX5 P09917 3/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ SMYD2 Q9NRG4 1/20 0.34
▸ NR3C1 P04150 4/20 0.33
▸ USP30 Q70CQ3 2/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ NR3C2 P08235 2/20 0.32
▸ PGR P06401 1/20 0.32

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
SCHEMBL28103275 0.85 PRMT6 (0.37) ALOX5
SCHEMBL27671224 0.83 ALOX5 (0.41) ALOX5
SCHEMBL27743313 0.79 ALOX5 (0.48) SLC6A4ALOX5HTR1AHTR7
SCHEMBL28103502 0.78 ALOX5 (0.47) ALOX5MGLL
SCHEMBL27873897 0.78 ALOX5 (0.47) ALOX5MGLL
SCHEMBL28835067 0.76 ALOX5 (0.49) ALOX5MGLLDRD2
SCHEMBL27726704 0.74 ALOX5 (0.44) ALOX5
SCHEMBL27505117 0.73 DDB1 (0.31) —
SCHEMBL28103613 0.71 MGLL (0.37) MGLL
SCHEMBL28039321 0.71 ADRB1 (0.45) SLC6A2SLC6A4SLC6A3

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
CN-102485743-A Antineoplastic compound BEIJING HANMEI PHARMACEUTICAL CO LTD 2012-06-06 — — CN disclosed
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