SCHEMBL28540327

SCHEMBL28540327

CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)nc3N(C)C)C[C@H]2CC)c(C(N)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MC2R Q01718 20/20 0.61

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
SCHEMBL21700845 0.91 MC2R (0.75) MC2R
SCHEMBL28531735 0.90 MC2R (0.57) MC2R
SCHEMBL28534247 0.89 MC2R (0.62) MC2R
SCHEMBL28532150 0.88 MC2R (0.59) MC2R
SCHEMBL28533192 0.88 MC2R (0.62) MC2R
SCHEMBL28531218 0.85 MC2R (0.58) MC2R
SCHEMBL28536583 0.84 MC2R (0.68) MC2R
SCHEMBL28537132 0.84 MC2R (0.83) MC2R
SCHEMBL28531222 0.83 MC2R (0.59) MC2R
SCHEMBL31188574 0.83 MC2R (0.78) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112533904-A Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof 克林提克斯医药股份有限公司 2021-03-19 CN claimed
CN-112533904-A Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof 克林提克斯医药股份有限公司 2021-03-19 CN disclosed