SCHEMBL4319911

SCHEMBL4319911

CN1Cc2c(ccc3ccccc23)C(C(C)(O)c2ccccc2)C1.CN1Cc2c(ccc3ccccc23)C(C(O)C2CCCCC2)C1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RCE1 Q9Y256 1/20 0.33
▸ METAP2 P50579 5/20 0.32
▸ METAP1 P53582 2/20 0.32
▸ CNR1 P21554 4/20 0.32
▸ CHRM3 P20309 4/20 0.31
▸ CASR P41180 1/20 0.31
▸ SLC6A2 P23975 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ SLC6A3 Q01959 2/20 0.31

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
SCHEMBL4463813 0.88 KDM4E (0.39) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL4470550 0.86 KDM4E (0.41) ATML3MBTL1KDM4EMAPTALDH1A1
SCHEMBL4319928 0.69 SLC6A2 (0.46) CHRM3SLC6A2SLC6A4SLC6A3
SCHEMBL4454609 0.65 SLC6A2 (0.53) CHRM3SLC6A2SLC6A4SLC6A3
SCHEMBL4476207 0.60 SLC6A2 (0.47) CHRM3SLC6A2SLC6A4SLC6A3
SCHEMBL21142183 0.56 CYP2B6 (0.46) ATML3MBTL1KDM4EMAPTALDH1A1
SCHEMBL28188331 0.56 ALDH1A1 (0.42) KDM4EMAPTALDH1A1GAASLC6A2
SCHEMBL9906166 0.56 KEAP1 (0.56) ATML3MBTL1MAPTCHRM3
SCHEMBL13131231 0.56 KEAP1 (0.56) ATML3MBTL1MAPTCHRM3
SCHEMBL18415154 0.56 KEAP1 (0.56) ATML3MBTL1MAPTCHRM3

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 claimed
Send feedback