SCHEMBL26465702

SCHEMBL26465702

CC(C)(C)NC(=O)CN1C2CC1CN(CC(=O)Nc1cc(F)ccc1C#N)C2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 8/20 0.43
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.39
AR P10275 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CXCR6 O00574 1/20 0.38

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
SCHEMBL26465704 0.80 CACNA1H (0.51) CACNA1HAR
SCHEMBL26464503 0.79 KCNT1 (0.49) CACNA1HPOLBPKMLMNAMEN1
SCHEMBL26465811 0.76 ALDH1A1 (0.49) CACNA1HPOLBPKMLMNAMEN1
SCHEMBL26465689 0.75 CACNA1H (0.54) CACNA1HLMNAMEN1KMT2AALDH1A1
SCHEMBL26465573 0.75 CACNA1H (0.72) CACNA1HLMNAMEN1KMT2AKDM4E
SCHEMBL26464490 0.75 CACNA1H (0.54) CACNA1HCXCR6
SCHEMBL26465710 0.75 HTT (0.50) CACNA1HPOLBLMNAMEN1KMT2A
SCHEMBL26465699 0.74 HPGD (0.55) CACNA1HLMNAMEN1KMT2AKDM4E
SCHEMBL26465812 0.73 CACNA1H (0.47) CACNA1HPOLBLMNAMEN1KMT2A
SCHEMBL26465838 0.72 CACNA1H (0.55) CACNA1HALDH1A1CXCR6

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