SCHEMBL26466922

SCHEMBL26466922

COc1cc(NC(=O)CN2C[C@@H]3C[C@H]2CN3CC(=O)NC2(C(F)(F)F)CC2)cc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 5/20 0.41
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CXCR6 O00574 3/20 0.35
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
LTA4H P09960 1/20 0.34
GFER P55789 1/20 0.33
WNT3A P56704 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
SCHEMBL26467004 0.89 CACNA1H (0.36) CACNA1HLTA4H
SCHEMBL26465564 0.89 CACNA1H (0.43) CACNA1HALDH1A1KDM4ESMN1; SMN2CXCR6
SCHEMBL26466919 0.86 CACNA1H (0.42) CACNA1HALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL26466914 0.84 L3MBTL1 (0.43) CACNA1HALDH1A1KDM4ELMNAMAPT
SCHEMBL26466903 0.84 CACNA1H (0.50) CACNA1HALDH1A1KDM4ELMNAMAPT
SCHEMBL26466925 0.84 CACNA1H (0.46) CACNA1HALDH1A1KDM4ELMNAMAPT
SCHEMBL26466915 0.81 CACNA1H (0.46) CACNA1HALDH1A1KDM4ELMNAMAPT
SCHEMBL26466916 0.80 SIGMAR1 (0.42) CACNA1HMAPTTSHRLTA4H
SCHEMBL26466912 0.80 CACNA1H (0.38) CACNA1HALDH1A1KDM4EMAPTLTA4H
SCHEMBL26466415 0.79 CACNA1H (0.53) CACNA1HALDH1A1CXCR6LTA4H

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