SCHEMBL28528913

SCHEMBL28528913

CCOc1c(-c2ccccc2)ccc(N2CCN(C(=O)c3c(F)cc(C)cc3-c3ccc(CN)cc3)C[C@H]2CC)c1C(=O)NCCN

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MC2R Q01718 17/20 0.49
PDE10A Q9Y233 1/20 0.34
BACE1 P56817 2/20 0.32

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
SCHEMBL28909259 0.91 MC2R (0.54) MC2R
SCHEMBL28909261 0.91 MC2R (0.54) MC2R
SCHEMBL28540313 0.89 MC2R (0.55) MC2RPDE10A
SCHEMBL28540314 0.89 MC2R (0.55) MC2RPDE10A
SCHEMBL28528906 0.88 MC2R (0.55) MC2R
SCHEMBL31188572 0.86 MC2R (0.67) MC2RPDE10A
SCHEMBL21700733 0.86 MC2R (0.67) MC2RPDE10A
SCHEMBL21700970 0.82 MC2R (0.67) MC2R
SCHEMBL28543256 0.81 MC2R (0.72) MC2R
SCHEMBL28543255 0.81 MC2R (0.72) 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