SCHEMBL26466233

SCHEMBL26466233

O=C(CN1C[C@H]2C[C@@H]1CN2CC(=O)NC1(C(F)(F)F)CC1)Nc1cc(F)cc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 8/20 0.53
GRM4 Q14833 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LTA4H P09960 1/20 0.36
MCHR1 Q99705 2/20 0.35
BCHE P06276 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
SLC6A9 P48067 1/20 0.33
CXCR6 O00574 1/20 0.33
S1PR2 O95136 1/20 0.33

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
SCHEMBL26466415 1.00 CACNA1H (0.53) CACNA1HGRM4MEN1KMT2ALTA4H
SCHEMBL26466909 0.89 CACNA1H (0.44) CACNA1HMEN1KMT2ALTA4HMCHR1
SCHEMBL26465080 0.88 CACNA1H (0.56) CACNA1HGRM4MEN1KMT2ACXCR6
SCHEMBL26466915 0.87 CACNA1H (0.46) CACNA1HMEN1KMT2ALTA4HMCHR1
SCHEMBL26466903 0.85 CACNA1H (0.50) CACNA1HMEN1KMT2ALTA4HALDH1A1
SCHEMBL26466594 0.85 HPGD (0.49) CACNA1HKMT2AMCHR1ALDH1A1
SCHEMBL26466250 0.85 HPGD (0.49) CACNA1HKMT2AMCHR1ALDH1A1
SCHEMBL26466243 0.85 HPGD (0.49) CACNA1HKMT2AMCHR1ALDH1A1
SCHEMBL26466919 0.85 CACNA1H (0.42) CACNA1HMEN1KMT2ALTA4HMCHR1
SCHEMBL26466389 0.84 CACNA1H (0.40) CACNA1HMEN1KMT2ALTA4HALDH1A1

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