SCHEMBL7967602

SCHEMBL7967602

Cc1nc2c(c(-c3cccc(Cl)c3Cl)c1C(=O)OC(C)C)C(=O)OC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNG3 O60359 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1H O95180 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CACNB3 P54284 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNG7 P62955 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNB1 Q02641 1/20 0.39
CACNG1 Q06432 1/20 0.39
CACNB2 Q08289 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
CACNA1E Q15878 1/20 0.39
CACNA2D4 Q7Z3S7 1/20 0.39

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
SCHEMBL8600882 0.85 CACNB4 (0.43) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7979243 0.85 CACNB4 (0.38) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7977502 0.83 CYP1A2 (0.53) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7981180 0.83 CACNB4 (0.38) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7981539 0.82 SLC6A2 (0.44) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7977490 0.81 LMNA (0.55) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL10748512 0.75 SMN1; SMN2 (0.42) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL11009475 0.75 CACNA1C (0.45) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7979537 0.73 POLB (0.44) ALDH1A1LMNAHPGDSMN1; SMN2PTPN11
SCHEMBL7984066 0.73 POLB (0.44) ALDH1A1LMNAHPGDSMN1; SMN2MAPT

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
US-6194428-B1 BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2001-02-27 US claimed