SCHEMBL4591523

SCHEMBL4591523

COC(=O)C1(c2ccc3ccccc3c2)CC2CCC(C1)N2C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.47
SLC6A3 Q01959 6/20 0.46
SLC6A4 P31645 4/20 0.46
ADAM17 P78536 1/20 0.41
OPRL1 P41146 1/20 0.40

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
SCHEMBL7464514 0.84 SLC6A2 (0.48) OPRM1SLC6A3SLC6A4OPRL1
SCHEMBL1012743 0.84 SLC6A2 (0.48) OPRM1SLC6A3SLC6A4OPRL1
SCHEMBL15956392 0.81 OPRM1 (0.46) OPRM1SLC6A3SLC6A4OPRL1
SCHEMBL7157429 0.80 OPRK1 (0.46) OPRM1SLC6A3SLC6A4ADAM17OPRL1
SCHEMBL7744850 0.80 OPRM1 (0.56) OPRM1SLC6A3SLC6A4ADAM17
SCHEMBL7568500 0.79 CYP2D6 (0.48) OPRM1SLC6A3SLC6A4OPRL1
SCHEMBL5730907 0.79 OPRM1 (0.40) OPRM1OPRL1
SCHEMBL1012066 0.79 SLC6A4 (0.43) OPRM1SLC6A3SLC6A4
SCHEMBL3656139 0.79 ALDH1A1 (0.47) OPRM1SLC6A3SLC6A4OPRL1
SCHEMBL7160342 0.79 ALDH1A1 (0.35) SLC6A3SLC6A4

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
EP-1945212-A1 TREATMENT OF DIABETES NEUROSEARCH A/S (DK) 2008-07-23 EP disclosed
WO-2007051594-A1 TREATMENT OF DIABETES NEUROSEARCH A/S (DK) 2007-05-10 WO disclosed