SCHEMBL31099013

SCHEMBL31099013

[2H]C([2H])([2H])c1nc2c(cc1-c1ncccn1)CC[C@@]1(CCN(C(=O)[C@H](C)c3cc(OC)ncc3F)C1)N2

nearest known ligand 0.90

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 20/20 0.90
▸ KCNH2 Q12809 3/20 0.72
▸ MC5R P33032 1/20 0.72
▸ MC3R P41968 1/20 0.72

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
SCHEMBL31099052 1.00 MC4R (0.90) MC4RKCNH2MC5RMC3R
SCHEMBL30184829 0.95 MC4R (1.00) MC4RKCNH2MC5RMC3R
SCHEMBL24094583 0.95 MC4R (1.00) MC4RKCNH2MC5RMC3R
SCHEMBL30318564 0.95 MC4R (1.00) MC4RKCNH2MC5RMC3R
SCHEMBL25223148 0.95 MC4R (1.00) MC4RKCNH2MC5RMC3R
SCHEMBL24094597 0.95 MC4R (1.00) MC4RKCNH2MC5RMC3R
SCHEMBL24853368 0.95 MC4R (1.00) MC4RKCNH2MC5RMC3R
SCHEMBL24094598 0.95 MC4R (1.00) MC4RKCNH2MC5RMC3R
SCHEMBL30355166 0.95 MC4R (1.00) MC4RKCNH2MC5RMC3R
SCHEMBL31207247 0.93 MC4R (0.90) MC4RKCNH2MC5RMC3R

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
WO-2024255412-A1 SPIRO HETEROCYCLIC COMPOUND AND USE THEREOF 广州必贝特医药股份有限公司 2024-12-19 — — WO disclosed
CN-118510780-A Spiro heterocyclic compounds and uses thereof 广州必贝特医药股份有限公司 2024-08-16 — — CN disclosed
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