SCHEMBL19937128

SCHEMBL19937128

CC1(C)C[C@@](CCNCc2ccccc2)(c2ccccc2)CCO1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.84
ICMT O60725 11/20 0.69
HTR1A P08908 1/20 0.67
HTR7 P34969 1/20 0.67
HTR6 P50406 1/20 0.67
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62

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
SCHEMBL12541297 1.00 OPRM1 (0.84) OPRM1ICMTHTR1AHTR7HTR6
SCHEMBL12541950 0.93 OPRM1 (0.81) OPRM1ICMTHTR1AHTR7HTR6
SCHEMBL19027193 0.92 OPRM1 (0.72) OPRM1ICMTHTR1AHTR7HTR6
SCHEMBL12542194 0.92 OPRM1 (1.00) OPRM1ICMTHTR1AHTR7HTR6
SCHEMBL18899397 0.92 OPRM1 (1.00) OPRM1ICMTHTR1AHTR7HTR6
SCHEMBL13546107 0.90 OPRM1 (0.70) OPRM1ICMTHTR1AHTR7HTR6
SCHEMBL12692092 0.90 ICMT (0.73) OPRM1ICMTHTR1AHTR7HTR6
SCHEMBL13546103 0.87 MEN1 (0.68) OPRM1ICMTHTR1AHTR7HTR6
SCHEMBL18886985 0.86 OPRM1 (0.71) OPRM1ICMTHTR1AHTR7HTR6
SCHEMBL19937060 0.85 ICMT (0.71) OPRM1ICMTHTR1AHTR7HTR6

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
EP-3290415-A1 OPIOID RECEPTOR LIGANDS AND METHODS OF USING AND MAKING SAME Trevena, Inc. (US) 2018-03-07 EP disclosed