SCHEMBL24853331

SCHEMBL24853331

CN/N=C(\N)c1cc2c(nc1C)N[C@@]1(CC2)CCN(C(=O)[C@H](C)c2cc(OC)ncc2Cl)C1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 19/20 0.72
▸ KCNH2 Q12809 2/20 0.48
▸ MC5R P33032 1/20 0.48
▸ MC3R P41968 1/20 0.48
▸ LRRK2 Q5S007 1/20 0.31

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
SCHEMBL24853425 0.92 MC4R (0.72) MC4RKCNH2MC5RMC3R
SCHEMBL24094703 0.92 MC4R (0.72) MC4RKCNH2MC5RMC3R
SCHEMBL27396100 0.91 MC4R (0.69) MC4RKCNH2MC5RMC3R
SCHEMBL24853332 0.90 MC4R (0.71) MC4RKCNH2MC5RMC3R
SCHEMBL24094729 0.86 MC4R (0.55) MC4RKCNH2MC5RMC3R
SCHEMBL24094695 0.86 MC4R (0.69) MC4RKCNH2MC5RMC3R
SCHEMBL24094688 0.86 MC4R (0.69) MC4RKCNH2MC5RMC3R
SCHEMBL24094630 0.85 MC4R (0.65) MC4RKCNH2MC5RMC3R
SCHEMBL24094631 0.85 MC4R (0.65) MC4RKCNH2MC5RMC3R
SCHEMBL24853911 0.85 MC4R (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023275715-A1 METABOLITES OF SELECTIVE ANDROGEN RECEPTOR MODULATORS PFIZER INC. (US) 2023-01-05 — — WO disclosed
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