SCHEMBL7979243

SCHEMBL7979243

Cc1nc2c(c(-c3cccc(Cl)c3Cl)c1C(=O)OC(C)C)COC2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNG3 O60359 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1H O95180 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
CACNB3 P54284 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNG7 P62955 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNB1 Q02641 1/20 0.38
CACNG1 Q06432 1/20 0.38
CACNB2 Q08289 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
CACNA1E Q15878 1/20 0.38
CACNA2D4 Q7Z3S7 1/20 0.38

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
SCHEMBL7979537 0.89 POLB (0.44) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL8802602 0.86 PTPN11 (0.36) PTPN11
SCHEMBL7967602 0.85 CACNB4 (0.39) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7984061 0.85 CACNB4 (0.42) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7977502 0.76 CYP1A2 (0.53) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7981180 0.76 CACNB4 (0.38) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7977490 0.74 LMNA (0.55) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL10748512 0.74 SMN1; SMN2 (0.42) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7978016 0.72 PLA2G2A (0.47) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL8600882 0.70 CACNB4 (0.43) 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 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