SCHEMBL30410249

SCHEMBL30410249

O=C(Nc1ccc2scnc2c1)C1CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 15/20 0.61
IKBKB O14920 1/20 0.57
CHUK O15111 1/20 0.57
CHRM1 P11229 1/20 0.52
HSD11B1 P28845 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
ULK1 O75385 1/20 0.50

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
SCHEMBL30410367 0.93 CHRM5 (0.56) CHRM5IKBKBCHUKCHRM1HSD11B1
SCHEMBL1148015 0.90 IKBKB (0.68) CHRM5IKBKBCHUKL3MBTL1ULK1
SCHEMBL30410419 0.83 CHRM5 (0.53) CHRM5IKBKBCHUKHSD11B1
SCHEMBL26347491 0.83 CHRM5 (0.53) CHRM5IKBKBCHUKHSD11B1
SCHEMBL10114471 0.78 CHRM5 (0.56) CHRM5CHRM1
SCHEMBL14424738 0.78 CHRM5 (0.56) CHRM5CHRM1
SCHEMBL14627686 0.78 CHRM5 (0.56) CHRM5CHRM1
SCHEMBL10114822 0.78 CHRM5 (0.56) CHRM5CHRM1
SCHEMBL26347504 0.76 CHRM5 (1.00) CHRM5CHRM1
SCHEMBL22341666 0.76 HSD11B1 (0.63) CHRM5HSD11B1L3MBTL1

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
CN-115768771-A Arylsulfonyl derivatives and their use as muscarinic acetylcholine receptor M5 inhibitors 范德堡大学 2023-03-07 CN claimed