SCHEMBL23201632

SCHEMBL23201632

CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(C)cc3N3CC[C@H](CN)C3)C[C@H]2CC)c(C(=O)NCCN)c1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MC2R Q01718 19/20 0.67
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 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
SCHEMBL21700575 1.00 MC2R (0.67) MC2RHCRTR1HCRTR2
SCHEMBL21700694 0.93 MC2R (0.76) MC2R
SCHEMBL21700744 0.93 MC2R (0.76) MC2R
SCHEMBL21700907 0.93 MC2R (0.68) MC2R
SCHEMBL23201596 0.93 MC2R (0.68) MC2R
SCHEMBL21700980 0.92 MC2R (0.67) MC2RHCRTR1HCRTR2
SCHEMBL28539410 0.92 MC2R (0.56) MC2RHCRTR1HCRTR2
SCHEMBL23201638 0.92 MC2R (0.72) MC2R
SCHEMBL23201609 0.92 MC2R (0.72) MC2R
SCHEMBL21700947 0.92 MC2R (0.72) MC2R

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 claimed