SCHEMBL28537151

SCHEMBL28537151

CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3N3CC[C@H](N)C3)C[C@H]2CC)c(C(N)=O)c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MC2R Q01718 15/20 0.63
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
HCRTR1 O43613 4/20 0.42
HCRTR2 O43614 4/20 0.42

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
SCHEMBL28536533 0.97 MC2R (0.63) MC2RMEN1NPC1MAPTKMT2A
SCHEMBL28909324 0.92 MC2R (0.63) MC2RMEN1NPC1MAPTKMT2A
SCHEMBL28540331 0.92 MC2R (0.63) MC2RMEN1NPC1MAPTKMT2A
SCHEMBL28546682 0.92 MC2R (0.66) MC2RMEN1NPC1MAPTKMT2A
SCHEMBL31188943 0.91 MC2R (0.77) MC2RMEN1NPC1MAPTKMT2A
SCHEMBL21701036 0.91 MC2R (0.77) MC2RMEN1NPC1MAPTKMT2A
SCHEMBL31113356 0.89 MC2R (0.53) MC2RMEN1NPC1MAPTKMT2A
SCHEMBL28525302 0.88 MC2R (0.68) MC2RMEN1NPC1MAPTKMT2A
SCHEMBL22193315 0.88 MC2R (0.62) MC2RMEN1NPC1MAPTKMT2A
SCHEMBL21700843 0.88 MC2R (0.78) MC2RMEN1NPC1MAPTKMT2A

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