SCHEMBL9434708

SCHEMBL9434708

COC(=O)c1cccnc1C1=C(C)NC(C)=CC1c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
CACNA1D Q01668 3/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CACNA1F O60840 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
KDM4E B2RXH2 6/20 0.37
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 3/20 0.36
GLA P06280 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAP2K1 Q02750 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9434354 0.91 CNR2 (0.38) CNR2SLC6A3KDM4EHSD17B10ALDH1A1
SCHEMBL9433618 0.89 CACNA1B (0.38) CNR2CACNA1DSLC6A3CACNA1FCACNA1S
SCHEMBL9434685 0.86 CNR2 (0.39) CNR2SLC6A3KDM4EHSD17B10ALDH1A1
SCHEMBL9434412 0.84 ALDH1A1 (0.40) CNR2SLC6A3CACNA1CKDM4EHSD17B10
SCHEMBL9434181 0.83 NPSR1 (0.40) CNR2KDM4EHSD17B10ALDH1A1GAA
SCHEMBL9433910 0.83 KDM4E (0.44) CNR2CACNA1DSLC6A3CACNA1FCACNA1S
SCHEMBL9433565 0.80 KDM4E (0.38) CNR2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL9434469 0.80 KDM4E (0.42) CNR2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL9433808 0.78 SMN1; SMN2 (0.37) CNR2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL10432086 0.77 KDM4E (0.41) KDM4ESMN1; SMN2TDP1HTT

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
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed