SCHEMBL8656293

SCHEMBL8656293

CCCN1CCN(CCCCC2C(N3CCN(CC(=O)OC)CC3)OC(=O)N2C)CC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.35
GRM2 Q14416 1/20 0.30
TYR P14679 1/20 0.30

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
SCHEMBL8659458 0.92 FPR3 (0.32) OPRL1GRM2
SCHEMBL8659077 0.91 GAA (0.34) OPRL1
SCHEMBL8656289 0.89 OPRL1 (0.33) OPRL1
SCHEMBL8655682 0.88 S1PR1 (0.32)
SCHEMBL8658006 0.88 HTR7 (0.39)
SCHEMBL8655698 0.86 GAA (0.32) OPRL1
SCHEMBL8661603 0.86 MAOB (0.33)
SCHEMBL8655866 0.86 ALDH1A1 (0.41)
SCHEMBL8654546 0.85 SMN1; SMN2 (0.32)
SCHEMBL8658344 0.84 GLA (0.33)

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
US-5776937-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-07-07 US disclosed