SCHEMBL9526759

SCHEMBL9526759

O=C1NC(=O)C2C3=C4C=CC4=C(CC3)C12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.34
CACNB4 O00305 1/20 0.30
CACNA1A O00555 1/20 0.30
CACNA1G O43497 1/20 0.30
CACNG3 O60359 1/20 0.30
CACNA1F O60840 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNB3 P54284 1/20 0.30
CACNA2D1 P54289 1/20 0.30
CACNG7 P62955 1/20 0.30
CACNA1B Q00975 1/20 0.30
CACNA1D Q01668 1/20 0.30
CACNB1 Q02641 1/20 0.30
CACNG1 Q06432 1/20 0.30
CACNB2 Q08289 1/20 0.30
CACNA1S Q13698 1/20 0.30
CACNA1C Q13936 1/20 0.30
CACNA1E Q15878 1/20 0.30
CACNA2D4 Q7Z3S7 1/20 0.30
CACNA2D3 Q8IZS8 1/20 0.30

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
SCHEMBL21359607 0.62 MAP3K14 (0.33) MAP3K14CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL9528121 0.59 CACNB4 (0.36) MAP3K14CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL10761977 0.59 CACNB4 (0.36) MAP3K14CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL19598261 0.57 MAP3K14 (0.33) MAP3K14
SCHEMBL12474357 0.55 SMN1; SMN2 (0.52) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL12877381 0.55 CACNB4 (0.32) MAP3K14CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL13953393 0.55 MAP3K14 (0.37) MAP3K14
SCHEMBL5172854 0.55 PARP1 (0.31) MAP3K14
SCHEMBL83596 0.55
SCHEMBL1656999 0.55

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
EP-0220873-B1 Fused bicyclic imides with psychotropic activity AMERICAN HOME PROD (US) 1993-11-24 EP disclosed
US-4892943-A ANTIPSYCHOTIC, ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1990-01-09 US disclosed
EP-0220873-A1 Fused bicyclic imides with psychotropic activity AMERICAN HOME PRODUCTS CORPORATION (US) 1987-05-06 EP disclosed