SCHEMBL26465688

SCHEMBL26465688

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
CACNA1H O95180 1/20 0.47
KMT2A Q03164 2/20 0.46
MAPT P10636 5/20 0.43
TP53 P04637 4/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.43
THRB P10828 1/20 0.43
MCHR1 Q99705 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL26465813 0.89 MAPT (0.43) HPGDCACNA1HMAPTTP53ALDH1A1
SCHEMBL26466097 0.89 CACNA1H (0.45) HPGDCACNA1HKMT2AMAPTTP53
SCHEMBL26466243 0.89 HPGD (0.49) HPGDCACNA1HKMT2AMAPTTP53
SCHEMBL26466594 0.89 HPGD (0.49) HPGDCACNA1HKMT2AMAPTTP53
SCHEMBL26465684 0.89 HPGD (0.54) HPGDCACNA1HKMT2AMAPTTP53
SCHEMBL26466250 0.89 HPGD (0.49) HPGDCACNA1HKMT2AMAPTTP53
SCHEMBL26465818 0.88 CACNA1H (0.42) HPGDCACNA1HKMT2AMAPTTP53
SCHEMBL26465825 0.86 ALDH1A1 (0.44) CACNA1HKMT2AMAPTTSHRALDH1A1
SCHEMBL26465693 0.86 CACNA1H (0.41) HPGDCACNA1HKMT2AALDH1A1KDM4E
SCHEMBL26465080 0.86 CACNA1H (0.56) HPGDCACNA1HKMT2AMAPTTSHR

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