SCHEMBL27206859

SCHEMBL27206859

O=c1n(CCCCc2ccccc2)c2ccccc2n1C1CCN(CCCCCl)CC1

nearest known ligand 0.89

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 4/20 0.89
▸ CACNA1H O95180 4/20 0.89
▸ SIGMAR1 Q99720 5/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ CCR3 P51677 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ C5AR1 P21730 2/20 0.50
▸ DRD2 P14416 1/20 0.49
▸ DRD4 P21917 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ OPRL1 P41146 1/20 0.48

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
SCHEMBL30079694 0.94 CACNA1G (1.00) CACNA1GCACNA1HSIGMAR1CYP3A4CYP2D6
SCHEMBL24708724 0.94 CACNA1G (1.00) CACNA1GCACNA1HSIGMAR1CYP3A4CYP2D6
SCHEMBL24709104 0.93 CACNA1G (0.98) CACNA1GCACNA1HSIGMAR1CYP3A4CYP2D6
SCHEMBL24709347 0.93 CACNA1G (0.98) CACNA1GCACNA1HSIGMAR1CYP3A4CYP2D6
SCHEMBL24708803 0.93 CACNA1G (0.98) CACNA1GCACNA1HSIGMAR1CYP3A4CYP2D6
SCHEMBL24709558 0.93 CACNA1G (0.98) CACNA1GCACNA1HSIGMAR1CYP3A4CYP2D6
SCHEMBL24708732 0.90 CACNA1G (0.87) CACNA1GCACNA1HSIGMAR1CYP3A4CYP2D6
SCHEMBL24709338 0.90 CACNA1G (0.87) CACNA1GCACNA1HSIGMAR1CYP3A4CYP2D6
SCHEMBL24709352 0.90 CACNA1G (0.87) CACNA1GCACNA1HSIGMAR1CYP3A4CYP2D6
SCHEMBL24709556 0.89 CACNA1G (0.89) CACNA1GCACNA1HSIGMAR1CYP3A4CYP2D6

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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