SCHEMBL23201631

SCHEMBL23201631

CCOc1ncccc1-c1ccc(N2CCN(C(=O)N3CCC[C@@H]3C3CC3)C[C@H]2CC)c(C(=O)N[C@@H]2CCNC2)n1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MC2R Q01718 16/20 0.67
HTR1B P28222 1/20 0.45
DGAT2 Q96PD7 2/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
ACP1 P24666 1/20 0.35

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
SCHEMBL21700650 1.00 MC2R (0.67) MC2RHTR1BDGAT2HCRTR1HCRTR2
SCHEMBL21700703 0.91 MC2R (0.70) MC2RHTR1BDGAT2ACP1
SCHEMBL21700486 0.91 MC2R (0.70) MC2RHTR1BDGAT2ACP1
SCHEMBL21700578 0.91 MC2R (0.65) MC2RHTR1BHCRTR1HCRTR2ACP1
SCHEMBL21700722 0.90 MC2R (0.69) MC2RHTR1BDGAT2ACP1
SCHEMBL21700619 0.89 MC2R (0.75) MC2RHTR1BDGAT2ACP1
Formic Acid SCHEMBL21700938 0.86 MC2R (0.72) MC2RHTR1BDGAT2ACP1
SCHEMBL21700597 0.86 MC2R (0.67) MC2RHTR1BDGAT2ACP1
SCHEMBL21700940 0.86 MC2R (0.69) MC2RHTR1BDGAT2ACP1
SCHEMBL21700519 0.85 MC2R (0.66) MC2RHTR1BDGAT2ACP1

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