SCHEMBL28534332

SCHEMBL28534332

CCOc1ccncc1-c1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)C[C@H]2CC)c(C(N)=O)c1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MC2R Q01718 16/20 0.69
CYP11B2 P19099 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 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
SCHEMBL28526363 0.95 MC2R (0.70) MC2RKDM4ELMNASMN1; SMN2MKNK1
SCHEMBL21700988 0.91 MC2R (0.84) MC2R
SCHEMBL28536583 0.87 MC2R (0.68) MC2RKDM4ESMN1; SMN2
SCHEMBL28542472 0.87 MC2R (0.68) MC2RKDM4ELMNASMN1; SMN2
SCHEMBL21700564 0.87 MC2R (0.84) MC2RKDM4ELMNASMN1; SMN2
SCHEMBL28531748 0.86 MC2R (0.62) MC2RMKNK1MKNK2
SCHEMBL28526367 0.83 MC2R (0.64) MC2R
SCHEMBL21700831 0.82 MC2R (1.00) MC2RKDM4ELMNASMN1; SMN2
SCHEMBL31188485 0.82 MC2R (1.00) MC2RKDM4ELMNASMN1; SMN2
SCHEMBL21700856 0.81 MC2R (0.92) MC2RKDM4ELMNASMN1; SMN2

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