SCHEMBL15075358

SCHEMBL15075358

CCC(=O)CCCN1CCc2c(cc(O)c(O)c2Cl)C(c2ccc(O)cc2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 10/20 0.62
▸ DRD2 P14416 9/20 0.62
▸ DRD4 P21917 1/20 0.62
▸ DRD5 P21918 1/20 0.62
▸ DRD3 P35462 1/20 0.62
▸ HSD17B10 Q99714 5/20 0.52
▸ CYP2D6 P10635 4/20 0.52
▸ THPO P40225 4/20 0.52
▸ ALOX15 P16050 3/20 0.52
▸ NFKB1 P19838 3/20 0.52
▸ HIF1A Q16665 3/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ MTOR P42345 2/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ KDM4E B2RXH2 6/20 0.52
▸ MAPT P10636 3/20 0.52
▸ PMP22 Q01453 3/20 0.52
▸ PKM P14618 2/20 0.52
▸ LMNA P02545 2/20 0.52

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
SCHEMBL15996611 0.91 DRD1 (0.66) DRD1DRD2DRD4DRD5DRD3
Bromide SCHEMBL11528515 0.79 DRD1 (0.71) DRD1DRD2DRD4DRD5DRD3
SCHEMBL11099766 0.78 DRD1 (0.82) DRD1DRD2DRD4DRD5DRD3
SCHEMBL11243724 0.78 DRD1 (0.72) DRD1DRD2DRD4DRD5DRD3
Bromide SCHEMBL11496865 0.77 DRD1 (0.82) DRD1DRD2DRD4DRD5DRD3
SCHEMBL11273914 0.77 DRD2 (1.00) DRD1DRD2DRD4DRD5DRD3
Bromide SCHEMBL11243300 0.77 DRD1 (0.70) DRD1DRD2DRD4DRD5DRD3
SCHEMBL11240206 0.76 DRD2 (0.75) DRD1DRD2DRD4DRD5DRD3
Bromide SCHEMBL11101325 0.76 DRD2 (0.98) DRD1DRD2DRD4DRD5DRD3
SCHEMBL7318885 0.75 DRD1 (0.74) DRD1DRD2DRD4DRD5DRD3

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-2013093639-A1 PROCESS FOR THE SYNTHESIS OF THERAPEUTIC PEPTIDES IPSEN MANUFACTURING IRELAND LIMITED (IE) 2013-06-27 — — WO disclosed
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