SCHEMBL8717581

SCHEMBL8717581

O[C@H]1CCN(CC2NCCc3ccccc32)C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.50
SLC22A1 O15245 1/20 0.50
OPRM1 P35372 12/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
SIGMAR1 Q99720 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL8789518 1.00 PRCP (0.50) PRCPSLC22A1OPRM1SMN1; SMN2SIGMAR1
SCHEMBL8790382 0.92 OPRM1 (0.49) PRCPSLC22A1OPRM1SMN1; SMN2KDM4E
SCHEMBL9373834 0.85 PRCP (0.51) PRCPSLC22A1OPRM1SMN1; SMN2SIGMAR1
SCHEMBL9373828 0.85 PRCP (0.51) PRCPSLC22A1OPRM1SMN1; SMN2SIGMAR1
SCHEMBL9373842 0.85 PRCP (0.51) PRCPSLC22A1OPRM1SMN1; SMN2SIGMAR1
SCHEMBL3453173 0.81 OPRM1 (0.56) PRCPSLC22A1OPRM1SMN1; SMN2KDM4E
SCHEMBL329828 0.80 OPRM1 (0.57) PRCPSLC22A1OPRM1SMN1; SMN2KDM4E
SCHEMBL329925 0.80 OPRM1 (0.57) PRCPSLC22A1OPRM1SMN1; SMN2KDM4E
SCHEMBL330238 0.80 OPRM1 (0.57) PRCPSLC22A1OPRM1SMN1; SMN2KDM4E
SCHEMBL9423819 0.79 PRCP (0.56) PRCPSLC22A1OPRM1SMN1; SMN2KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569802-B1 Arylacetamides MERCK PATENT GMBH (DE) 1998-07-15 EP disclosed
US-5532266-A Acrylacetamides MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed
US-5472961-A Acetamides MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-12-05 US disclosed
EP-0670318-A2 Acetamides with analgesic and neuroprotective activity MERCK PATENT GmbH (DE) 1995-09-06 EP disclosed
EP-0569802-A1 Arylacetamides MERCK PATENT GmbH (DE) 1993-11-18 EP disclosed