SCHEMBL28526367

SCHEMBL28526367

CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CCN1c1ccc(-c2ccccn2)cc1C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MC2R Q01718 15/20 0.64
SYK P43405 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
SMO Q99835 1/20 0.37
GRM5 P41594 1/20 0.37

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
SCHEMBL21700941 0.90 MC2R (0.80) MC2RMAPK8MAPK10
SCHEMBL28531748 0.87 MC2R (0.62) MC2R
SCHEMBL28542472 0.86 MC2R (0.68) MC2R
SCHEMBL28536583 0.86 MC2R (0.68) MC2R
SCHEMBL28526363 0.83 MC2R (0.70) MC2R
SCHEMBL28534332 0.83 MC2R (0.69) MC2R
SCHEMBL21700964 0.78 MC2R (1.00) MC2RMAPK8MAPK10
SCHEMBL21700680 0.78 MC2R (1.00) MC2RMAPK8MAPK10
SCHEMBL21700840 0.78 MC2R (0.88) MC2R
SCHEMBL21700838 0.78 MC2R (0.88) 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