SCHEMBL23201627

SCHEMBL23201627

CCOc1ncccc1-c1ccc(N2CCN(C(=O)O)C[C@@H]2CC)c(C(=O)N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)n1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MC2R Q01718 16/20 0.61
HTR1B P28222 1/20 0.45
ENPP2 Q13822 2/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL21700622 1.00 MC2R (0.61) MC2RHTR1BENPP2PPARG
SCHEMBL30138137 0.94 MC2R (0.61) MC2RHTR1B
SCHEMBL26641078 0.91 MC2R (0.61) MC2RHTR1BENPP2PPARG
SCHEMBL26641073 0.91 MC2R (0.61) MC2RHTR1BENPP2PPARG
SCHEMBL30138124 0.90 MC2R (0.55) MC2RHTR1BENPP2PPARG
SCHEMBL30138115 0.89 MC2R (0.80) MC2RHTR1BENPP2PPARG
SCHEMBL31188878 0.89 MC2R (0.80) MC2RHTR1BENPP2PPARG
SCHEMBL30138119 0.88 MC2R (0.61) MC2RHTR1B
SCHEMBL21700496 0.88 MC2R (0.77) MC2RHTR1B
Trifluoroacetic Acid SCHEMBL30138108 0.87 MC2R (0.57) MC2RHTR1BENPP2PPARG

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-3802500-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2021-04-14 EP disclosed