SCHEMBL29977696

SCHEMBL29977696

Cc1ccc2nc(Cl)c3ncn(Cc4cccc(CN5CCCC5)c4)c3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNB4 O00305 6/20 0.46
CACNA1A O00555 6/20 0.46
CACNA1G O43497 6/20 0.46
CACNG3 O60359 6/20 0.46
CACNA1F O60840 6/20 0.46
CACNA1H O95180 6/20 0.46
CACNB3 P54284 6/20 0.46
CACNA2D1 P54289 6/20 0.46
CACNG7 P62955 6/20 0.46
CACNA1B Q00975 6/20 0.46
CACNA1D Q01668 6/20 0.46
CACNB1 Q02641 6/20 0.46
CACNG1 Q06432 6/20 0.46
CACNB2 Q08289 6/20 0.46
CACNA1S Q13698 6/20 0.46
CACNA1C Q13936 6/20 0.46
CACNA1E Q15878 6/20 0.46
CACNA2D4 Q7Z3S7 6/20 0.46
CACNA2D3 Q8IZS8 6/20 0.46
CACNG8 Q8WXS5 6/20 0.46

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
SCHEMBL29977749 0.88 CACNB4 (0.43) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL24733009 0.88 MAOB (0.48) ALDH1A1KDM4EPRMT6LMNAMAPT
SCHEMBL29808930 0.88 MAOB (0.48) ALDH1A1KDM4EPRMT6LMNAMAPT
SCHEMBL29977341 0.81 MC4R (0.47) ACHEALDH1A1KDM4ELMNAMAPT
SCHEMBL29977856 0.80 METAP2 (0.40) ALDH1A1KDM4EPRMT6LMNAGAA
SCHEMBL29808851 0.77 KCNH2 (0.43) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL24732803 0.77 KCNH2 (0.43) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL29977138 0.76 MAOB (0.41) ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL24732579 0.75 TLR7 (0.54) KCNH2PRMT6LMNA
SCHEMBL29808887 0.75 TLR7 (0.54) KCNH2PRMT6LMNA

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-2022161420-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2022-08-04 WO disclosed