SCHEMBL28532117

SCHEMBL28532117

CCc1c(-c2ccccc2)ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)C[C@H]2CC)c1C(=O)NCCN

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MC2R Q01718 15/20 0.72
MDM2 Q00987 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
SLC6A9 P48067 1/20 0.34

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
SCHEMBL28525318 0.94 MC2R (0.70) MC2RMDM2KMT2AMAPK8MAPK10
SCHEMBL28536865 0.93 MC2R (0.74) MC2RMDM2KMT2AMAPK8MAPK10
SCHEMBL28534256 0.92 MC2R (0.73) MC2RMDM2KMT2AMAPK8MAPK10
SCHEMBL28532866 0.92 MC2R (0.75) MC2RMDM2KMT2AMAPK8MAPK10
SCHEMBL28525340 0.92 MC2R (0.75) MC2RMDM2KMT2AMAPK8MAPK10
SCHEMBL28533169 0.90 MC2R (0.72) MC2RMDM2KMT2AMAPK8MAPK10
SCHEMBL28532126 0.90 MC2R (0.74) MC2RMDM2MRGPRX4
SCHEMBL28531742 0.90 MC2R (0.72) MC2RMDM2KMT2AMAPK8MAPK10
SCHEMBL28539479 0.89 MC2R (0.68) MC2RMDM2KMT2AMRGPRX4
SCHEMBL28539415 0.89 MC2R (0.68) MC2RMDM2KMT2AMAPK8MAPK10

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