SCHEMBL28909247

SCHEMBL28909247

CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(F)cc3N3CCC(CN)C3)C[C@H]2CC)c(C(N)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MC2R Q01718 18/20 0.57
FFAR4 Q5NUL3 1/20 0.39
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
SCHEMBL28539410 0.93 MC2R (0.56) MC2RHCRTR1HCRTR2
SCHEMBL28540340 0.92 MC2R (0.57) MC2RFFAR4
SCHEMBL28540331 0.92 MC2R (0.63) MC2RHCRTR1HCRTR2
SCHEMBL28909324 0.92 MC2R (0.63) MC2RHCRTR1HCRTR2
SCHEMBL23201596 0.92 MC2R (0.68) MC2R
SCHEMBL21700907 0.92 MC2R (0.68) MC2R
SCHEMBL28910489 0.92 MC2R (0.60) MC2RHCRTR1HCRTR2
SCHEMBL28526366 0.86 MC2R (0.63) MC2R
SCHEMBL21700575 0.85 MC2R (0.67) MC2RHCRTR1HCRTR2
SCHEMBL23201632 0.85 MC2R (0.67) MC2RHCRTR1HCRTR2

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