SCHEMBL9852948

SCHEMBL9852948

N#CC(c1ccncc1)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.59
CACNA2D1 P54289 1/20 0.59
CACNA1B Q00975 1/20 0.59
CACNB1 Q02641 1/20 0.59
CACNA1C Q13936 1/20 0.59

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
SCHEMBL9852932 0.88
SCHEMBL9852940 0.82
SCHEMBL9852953 0.82
SCHEMBL9852997 0.82
SCHEMBL9852869 0.81 CACNA2D1 (0.61) CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL9574962 0.80
SCHEMBL28695334 0.78 HSD11B1 (0.64)
SCHEMBL9852946 0.77
SCHEMBL26330969 0.77 CACNA2D1 (0.81) CACNA1HCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL9853114 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0441226-A1 (cyanomethyl)pyridines useful as PAF antagonists J. URIACH & CIA. S.A. (ES) 1991-08-14 EP claimed
EP-0441226-A1 (cyanomethyl)pyridines useful as PAF antagonists J. URIACH & CIA. S.A. (ES) 1991-08-14 EP disclosed