SCHEMBL24709556

SCHEMBL24709556

CCCCn1c(=O)n(C2CCN(CCCCc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 4/20 0.89
▸ CACNA1H O95180 4/20 0.89
▸ CYP2D6 P10635 2/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CHRM1 P11229 1/20 0.52
▸ DRD2 P14416 1/20 0.52
▸ DRD4 P21917 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ PMP22 Q01453 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ SIGMAR1 Q99720 4/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KMT2A Q03164 1/20 0.51

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
SCHEMBL24708739 1.00 CACNA1G (0.89) CACNA1GCACNA1HCYP2D6CYP2C9CHRM1
SCHEMBL30079694 0.94 CACNA1G (1.00) CACNA1GCACNA1HCYP2D6DRD2DRD4
SCHEMBL24708724 0.94 CACNA1G (1.00) CACNA1GCACNA1HCYP2D6DRD2DRD4
SCHEMBL24709558 0.93 CACNA1G (0.98) CACNA1GCACNA1HCYP2D6DRD2DRD4
SCHEMBL24709347 0.93 CACNA1G (0.98) CACNA1GCACNA1HCYP2D6DRD2DRD4
SCHEMBL24709104 0.93 CACNA1G (0.98) CACNA1GCACNA1HCYP2D6DRD2DRD4
SCHEMBL24708803 0.93 CACNA1G (0.98) CACNA1GCACNA1HCYP2D6DRD2DRD4
SCHEMBL5774737 0.91 CACNA1G (0.72) CACNA1GCACNA1HCYP2D6CYP2C9CHRM1
SCHEMBL27206859 0.89 CACNA1G (0.89) CACNA1GCACNA1HCYP2D6DRD2DRD4
SCHEMBL24708743 0.88 CACNA1G (0.87) CACNA1GCACNA1HCYP2D6DRD2DRD4

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
WO-2022260016-A1 T-TYPE CALCIUM CHANNEL BLOCKER 学校法人近畿大学 2022-12-15 — — WO disclosed
Send feedback