SCHEMBL4377626

SCHEMBL4377626

Cc1ccc2c([c]cn2Cc2ccc(Cl)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNB4 O00305 2/20 0.45
CACNA1A O00555 2/20 0.45
CACNA1G O43497 2/20 0.45
CACNG3 O60359 2/20 0.45
CACNA1F O60840 2/20 0.45
CACNA1H O95180 2/20 0.45
CACNB3 P54284 2/20 0.45
CACNA2D1 P54289 2/20 0.45
CACNG7 P62955 2/20 0.45
CACNA1B Q00975 2/20 0.45
CACNA1D Q01668 2/20 0.45
CACNB1 Q02641 2/20 0.45
CACNG1 Q06432 2/20 0.45
CACNB2 Q08289 2/20 0.45
CACNA1S Q13698 2/20 0.45
CACNA1C Q13936 2/20 0.45
CACNA1E Q15878 2/20 0.45
CACNA2D4 Q7Z3S7 2/20 0.45
CACNA2D3 Q8IZS8 2/20 0.45
CACNG8 Q8WXS5 2/20 0.45

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
SCHEMBL27889061 0.83 DBH (0.41) POLBHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4384076 0.81 KCNA3 (0.46) MAPTTP53MEN1KMT2ASMN1; SMN2
SCHEMBL29136198 0.79 MAPT (0.46) MAPTTP53KCNH2MEN1KMT2A
SCHEMBL29136189 0.78 MAPT (0.47) MAPTTP53MEN1KMT2ASMN1; SMN2
SCHEMBL27905750 0.78 HTT (0.49) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL27751725 0.77 HDAC8 (0.40) MAPTTP53POLBHTTSMN1; SMN2
SCHEMBL27751735 0.77 ICMT (0.41) KCNH2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3079071 0.76 LMNA (0.50) MAPTTP53POLBMEN1KMT2A
SCHEMBL27889088 0.73 MEN1 (0.47) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL4383614 0.73 MEN1 (0.47) CACNB4CACNA1ACACNA1GCACNG3CACNA1F

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed