SCHEMBL31188511

SCHEMBL31188511

CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(OC)cc3C(F)(F)F)C[C@H]2CC)c(C(=O)NCCN(C)C)n1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MC2R Q01718 20/20 0.86
HTR1B P28222 1/20 0.41

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
SCHEMBL21700538 1.00 MC2R (0.86) MC2RHTR1B
SCHEMBL21700573 0.93 MC2R (0.85) MC2RHTR1B
SCHEMBL21700464 0.92 MC2R (1.00) MC2R
SCHEMBL21860083 0.92 MC2R (1.00) MC2R
Acetic Acid SCHEMBL21700533 0.91 MC2R (0.96) MC2R
SCHEMBL21700778 0.90 MC2R (0.86) MC2R
SCHEMBL21700704 0.89 MC2R (0.87) MC2RHTR1B
SCHEMBL21700463 0.88 MC2R (0.79) MC2RHTR1B
SCHEMBL21700665 0.88 MC2R (0.79) MC2R
SCHEMBL21700814 0.85 MC2R (0.87) MC2RHTR1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed