SCHEMBL4475719

SCHEMBL4475719

CN1Cc2cc(OCC(=O)N3CCOCC3)ccc2C(C2(O)CCCCC2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 10/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ HPGD P15428 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ POLB P06746 2/20 0.47
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ MGLL Q99685 1/20 0.44
▸ ABHD6 Q9BV23 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ LMNA P02545 1/20 0.43

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
SCHEMBL4466596 0.90 FKBP1A (0.41) FKBP1ASMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL4329576 0.84 SLC6A4 (0.55) ALDH1A1KDM4ENPC1
SCHEMBL4460205 0.83 HRH3 (0.61) —
SCHEMBL4326089 0.80 SLC6A4 (0.45) —
SCHEMBL4323128 0.80 SLC6A4 (0.55) —
SCHEMBL4338664 0.78 SLC6A4 (0.48) —
SCHEMBL4462683 0.78 HRH3 (0.55) —
SCHEMBL4462029 0.78 SLC6A4 (0.50) —
SCHEMBL4321649 0.78 SLC6A4 (0.47) —
SCHEMBL4316512 0.77 SLC6A4 (0.52) —

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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