SCHEMBL28532804

SCHEMBL28532804

CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CCN1c1ccc(-c2ccccc2C(=O)OC)cc1C(=O)NCCN

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MC2R Q01718 15/20 0.86
KMT2A Q03164 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.35
MTTP P55157 1/20 0.35
HSD17B3 P37058 1/20 0.35
KLRK1 P26718 1/20 0.35
MICA Q29983 1/20 0.35

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
SCHEMBL30138136 1.00 MC2R (0.86) MC2RKMT2AMRGPRX4MTTPHSD17B3
SCHEMBL28532806 1.00 MC2R (0.86) MC2RKMT2AMRGPRX4MTTPHSD17B3
SCHEMBL21700840 0.93 MC2R (0.88) MC2RKMT2AMTTP
SCHEMBL21700838 0.93 MC2R (0.88) MC2RKMT2AMTTP
SCHEMBL21701027 0.93 MC2R (0.87) MC2RKMT2AMTTPKLRK1MICA
SCHEMBL21701029 0.93 MC2R (0.87) MC2RKMT2AMTTPKLRK1MICA
SCHEMBL31188918 0.93 MC2R (0.87) MC2RKMT2AMTTPKLRK1MICA
SCHEMBL21700656 0.93 MC2R (0.89) MC2RMRGPRX4
SCHEMBL21700964 0.92 MC2R (1.00) MC2RKMT2AMRGPRX4
SCHEMBL21700680 0.92 MC2R (1.00) MC2RKMT2AMRGPRX4

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 3 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-B Melanocortin subtype-2 receptor (MC 2R) antagonists and uses thereof 克林提克斯医药股份有限公司 2024-10-29 CN disclosed
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