SCHEMBL28909324

SCHEMBL28909324

CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3N3CC[C@H](CN)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 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
HCRTR1 O43613 4/20 0.41
HCRTR2 O43614 4/20 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
SCHEMBL28540331 1.00 MC2R (0.63) MC2RMEN1NPC1MAPTKMT2A
SCHEMBL28539410 0.93 MC2R (0.56) MC2RHCRTR1HCRTR2
SCHEMBL28909247 0.92 MC2R (0.57) MC2RHCRTR1HCRTR2
SCHEMBL28537151 0.92 MC2R (0.63) MC2RMEN1NPC1MAPTKMT2A
SCHEMBL21700694 0.92 MC2R (0.76) MC2RMEN1NPC1MAPTKMT2A
SCHEMBL21700744 0.92 MC2R (0.76) MC2RMEN1NPC1MAPTKMT2A
SCHEMBL28536533 0.91 MC2R (0.63) MC2RMEN1NPC1MAPTKMT2A
SCHEMBL28546682 0.91 MC2R (0.66) MC2RMEN1NPC1MAPTKMT2A
SCHEMBL28910489 0.91 MC2R (0.60) MC2RHCRTR1HCRTR2
SCHEMBL28540340 0.90 MC2R (0.57) 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