SCHEMBL6949131

SCHEMBL6949131

CC1=C(C(=O)OCCOC2CCCCC2)C(c2cccc(C#N)c2)C(C(=O)OC(C)C)=C(C)N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 9/20 0.59
CACNA1D Q01668 9/20 0.59
CACNA1S Q13698 9/20 0.59
CACNA1C Q13936 9/20 0.59
MEN1 O00255 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 2/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
THPO P40225 1/20 0.53
MAPT P10636 1/20 0.53
NOTCH1 P46531 2/20 0.52
NR1I2 O75469 1/20 0.45
NR3C1 P04150 1/20 0.45
ABCB1 P08183 1/20 0.45

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
SCHEMBL6949497 0.91 NOTCH1 (0.62) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL10745598 0.87 CACNA1C (0.70) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL11109811 0.85 CACNA1F (0.67) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL6953285 0.85 NOTCH1 (0.63) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL11837499 0.84 CACNA1F (0.71) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL6952589 0.82 CACNA1C (0.60) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL8099049 0.81 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL7267362 0.80 CACNA1F (0.64) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL7160394 0.80 CACNA1C (0.77) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL8790612 0.80 CACNA1F (0.70) CACNA1FCACNA1DCACNA1SCACNA1CMEN1

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-0657431-B1 4-Phenyl-3-substituted 1,4-dihydropyridine esters with cerebral activity BAYER AG (DE) 2003-02-19 EP claimed
US-6066655-A FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, IN PARTICULAR AS CEREBRAL THERAPEUTICS BAYER AKTIENGESELLSCHAFT (DE) 2000-05-23 US disclosed
US-5731333-A LEARNING AND MEMORY ENHANCEMENT, ANTIDEPRESSANTS BAYER AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed