SCHEMBL28533169

SCHEMBL28533169

CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CCN1c1ccc(-c2ccccc2)c(OC)c1C(=O)NCCN

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MC2R Q01718 15/20 0.72
MRGPRX4 Q96LA9 1/20 0.35
MDM2 Q00987 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD3 P35462 1/20 0.35
MAPK8 P45983 1/20 0.34
MAPK10 P53779 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
SCHEMBL28532126 0.95 MC2R (0.74) MC2RMRGPRX4MDM2DRD3
SCHEMBL28539479 0.93 MC2R (0.68) MC2RMRGPRX4MDM2KMT2A
SCHEMBL28539415 0.93 MC2R (0.68) MC2RMRGPRX4MDM2KMT2AMAPK8
SCHEMBL28525340 0.92 MC2R (0.75) MC2RMRGPRX4MDM2KMT2AMAPK8
SCHEMBL28536865 0.92 MC2R (0.74) MC2RMRGPRX4MDM2KMT2AMAPK8
SCHEMBL28531216 0.91 MC2R (0.69) MC2RMDM2DRD3
SCHEMBL28534256 0.91 MC2R (0.73) MC2RMRGPRX4MDM2KMT2AMAPK8
SCHEMBL28532866 0.91 MC2R (0.75) MC2RMRGPRX4MDM2KMT2AMAPK8
SCHEMBL28532117 0.90 MC2R (0.72) MC2RMRGPRX4MDM2KMT2AMAPK8
SCHEMBL28525318 0.89 MC2R (0.70) 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