SCHEMBL26465818

SCHEMBL26465818

O=C(CN1CC2CC(C1)N2CC(=O)NC1(C(F)(F)F)CC1)Nc1ccc(F)c(C(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 3/20 0.42
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
AKT1 P31749 2/20 0.35
POLB P06746 2/20 0.35

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
SCHEMBL26465813 0.88 MAPT (0.43) CACNA1HALOX15ALDH1A1KDM4EHPGD
SCHEMBL26465688 0.88 HPGD (0.53) CACNA1HALDH1A1KDM4EHPGDMAPT
SCHEMBL26465703 0.88 CACNA1H (0.40) CACNA1HALOX15ALDH1A1KDM4EHPGD
SCHEMBL26465825 0.85 ALDH1A1 (0.44) CACNA1HALDH1A1KDM4EMAPTLMNA
SCHEMBL26465693 0.85 CACNA1H (0.41) CACNA1HALDH1A1KDM4EHPGDGLA
SCHEMBL26465812 0.84 CACNA1H (0.47) CACNA1HALOX15ALDH1A1KDM4EHPGD
SCHEMBL26465080 0.81 CACNA1H (0.56) CACNA1HHPGDMAPTLMNAMEN1
SCHEMBL26464489 0.80 CACNA1H (0.38) CACNA1HALDH1A1KDM4EGLATDP1
SCHEMBL26466097 0.80 CACNA1H (0.45) CACNA1HALDH1A1KDM4EHPGDGLA
SCHEMBL26466012 0.79 CACNA1H (0.45) CACNA1HALDH1A1MEN1KMT2ASMN1; SMN2

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