SCHEMBL31687280

SCHEMBL31687280

COc1cc([C@@H](C)C(=O)N2CC[C@H](Nc3ccc(-c4nccc(C#N)n4)c(C)n3)C2)c(Cl)cn1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 16/20 0.68
▸ KCNH2 Q12809 3/20 0.59
▸ NOS1 P29475 2/20 0.40
▸ NOS2 P35228 2/20 0.40
▸ SYK P43405 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ JAK3 P52333 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
SCHEMBL31687316 0.92 MC4R (0.82) MC4RKCNH2NOS1NOS2SYK
SCHEMBL25276740 0.90 MC4R (0.83) MC4RKCNH2
SCHEMBL30457637 0.90 MC4R (0.83) MC4RKCNH2
SCHEMBL25227171 0.90 MC4R (0.83) MC4RKCNH2
SCHEMBL30457504 0.90 MC4R (0.83) MC4RKCNH2
SCHEMBL30996498 0.84 MC4R (0.67) MC4RKCNH2
SCHEMBL30996497 0.82 MC4R (0.86) MC4RKCNH2
SCHEMBL31666900 0.82 MC4R (0.79) MC4RKCNH2SYK
SCHEMBL31421679 0.82 MC4R (0.86) MC4RKCNH2SYK
SCHEMBL31666908 0.82 MC4R (0.66) MC4RKCNH2JAK2JAK1JAK3

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
EP-4620955-A1 MC4R ANTAGONIST COMPOUND, PHARMACEUTICAL COMPOSITION AND PHARMACEUTICAL USE THEREOF Changchun Genescience Pharmaceutical Co., Ltd. (CN) 2025-09-24 — — EP disclosed
Send feedback