SCHEMBL27194843

SCHEMBL27194843

O=C(O)N1CCC(n2c(=O)n(CCCCc3ccccc3)c3ccc(Cl)cc32)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 4/20 0.66
▸ CACNA1H O95180 4/20 0.66
▸ ENPP2 Q13822 1/20 0.47
▸ TNKS O95271 1/20 0.46
▸ PARP2 Q9UGN5 1/20 0.46
▸ CYP2D6 P10635 8/20 0.45
▸ CYP3A4 P08684 6/20 0.45
▸ USP2 O75604 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ DRD2 P14416 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ SLC22A2 O15244 1/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ GMNN O75496 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ ADRB1 P08588 1/20 0.42

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
SCHEMBL27194859 0.90 CACNA1G (0.71) CACNA1GCACNA1HENPP2CYP2D6CYP3A4
SCHEMBL24709353 0.89 CACNA1G (0.78) CACNA1GCACNA1HCYP2D6CYP3A4USP2
SCHEMBL27194858 0.89 CACNA1G (0.82) CACNA1GCACNA1HCYP2D6CYP3A4OPRM1
SCHEMBL27194860 0.88 CACNA1G (0.66) CACNA1GCACNA1HCYP2D6CYP3A4CYP1A2
SCHEMBL24709344 0.88 CACNA1G (0.58) CACNA1GCACNA1HENPP2TNKSPARP2
SCHEMBL27194847 0.85 CACNA1G (0.77) CACNA1GCACNA1HCYP2D6CYP3A4OPRM1
SCHEMBL24708751 0.85 CACNA1G (0.78) CACNA1GCACNA1HCYP2D6CYP3A4USP2
SCHEMBL24708702 0.84 CACNA1G (0.58) CACNA1GCACNA1HENPP2TNKSPARP2
SCHEMBL27194861 0.82 CACNA1G (0.63) CACNA1GCACNA1HCYP2D6CYP3A4DRD2
SCHEMBL24709127 0.80 CACNA1G (1.00) CACNA1GCACNA1HTNKSPARP2CYP2D6

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
EP-4353713-A1 T-TYPE CALCIUM CHANNEL BLOCKER Kinki University (JP) 2024-04-17 — — EP disclosed
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