SCHEMBL26466767

SCHEMBL26466767

CC(C)(C)NC(=O)CN1C[C@@H]2C[C@H]1CN2CC(=O)NC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.45
HPGD P15428 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 2/20 0.44
CHRM5 P08912 3/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
EPHX1 P07099 2/20 0.40
CACNA1H O95180 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL26466002 0.83 SIGMAR1 (0.50) SIGMAR1HPGDCYP3A4CYP2C19GAA
SCHEMBL26466918 0.81 CACNA1H (0.35) GAAKMT2ACACNA1H
SCHEMBL931682 0.80 SIGMAR1 (0.46) SIGMAR1HPGDCYP3A4CYP2C19CHRM5
SCHEMBL2605751 0.76 HPGD (0.53) HPGDCYP3A4KMT2ANPSR1EPHX1
SCHEMBL26466763 0.74 CACNA1H (0.51) KMT2ANPSR1CACNA1H
SCHEMBL26466599 0.72 CACNA1H (0.70) KMT2ACACNA1H
SCHEMBL26466764 0.72 CACNA1H (0.55) KMT2ANPSR1CACNA1H
SCHEMBL1555258 0.71 HPGD (0.49) SIGMAR1HPGDCYP3A4CYP2C19CHRM5
SCHEMBL12829197 0.71 SMN1; SMN2 (0.47) HPGDGAAKMT2ANPSR1EPHX1
SCHEMBL26466613 0.69 CACNA1H (0.52) KMT2AL3MBTL1CACNA1H

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-2023192669-A1 T-TYPE CALCIUM CHANNEL MODULATORS COMPRISING A PIPERAZINE OR 1,4-DIAZEPANE CORE AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-05 WO disclosed