SCHEMBL4326421

SCHEMBL4326421

CCOC(=O)Oc1ccc2c(c1)CN(C)CC2C1(O)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 5/20 0.40
▸ SLC6A2 P23975 4/20 0.40
▸ SLC6A3 Q01959 4/20 0.40
▸ MMP8 P22894 3/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ OPRM1 P35372 5/20 0.37
▸ SLC22A1 O15245 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP14 P50281 1/20 0.35

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
SCHEMBL4461859 0.88 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3MMP8MMP3
SCHEMBL4321880 0.88 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3KMT2A
SCHEMBL4323128 0.86 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3
SCHEMBL4316957 0.84 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3
SCHEMBL4325084 0.81 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3
SCHEMBL4326089 0.80 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3
SCHEMBL4322610 0.79 KMT2A (0.42) SLC6A4SLC6A2SLC6A3MEN1POLB
SCHEMBL4465715 0.79 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3
SCHEMBL4321649 0.79 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3
SCHEMBL4316588 0.79 KMT2A (0.43) SLC6A4SLC6A2SLC6A3MEN1KMT2A

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