SCHEMBL4463813

SCHEMBL4463813

CN1Cc2c(ccc3ccccc23)C(C(O)C2CCCCC2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ METAP2 P50579 5/20 0.38
▸ METAP1 P53582 2/20 0.38
▸ SLC6A4 P31645 5/20 0.38
▸ SLC6A2 P23975 4/20 0.38
▸ SLC6A3 Q01959 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CHRM3 P20309 2/20 0.36
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ RCE1 Q9Y256 1/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ SLC18A2 Q05940 1/20 0.34

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
SCHEMBL4319911 0.88 ATM (0.33) KDM4EMAPTMETAP2METAP1SLC6A4
SCHEMBL4319928 0.78 SLC6A2 (0.46) SLC6A4SLC6A2SLC6A3SMN1; SMN2CHRM3
SCHEMBL4326074 0.70 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3
SCHEMBL4470550 0.68 KDM4E (0.41) KDM4EMAPTSLC6A4SLC6A2SLC6A3
SCHEMBL27360664 0.62 MAPT (0.42) KDM4EMAPTMETAP2METAP1SLC6A2
SCHEMBL5275095 0.61 KDM4E (0.56) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL10188356 0.61 MAOA (0.53) KDM4EMAPTSLC6A4SLC6A2CHRM3
SCHEMBL17121327 0.61 KDM4E (0.51) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL6938817 0.61 KDM4E (0.50) KDM4EMETAP2METAP1ALDH1A1EPHX1
SCHEMBL21369339 0.61 DRD2 (0.55) KDM4ESLC6A4DRD2

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-2009118765-A2 NOVEL MONOAMINE RE-UPTAKE INHIBITOR PANACEA BIOTEC LIMITED (GB) 2009-10-01 — — WO disclosed
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