SCHEMBL26466914

SCHEMBL26466914

COc1cc(NC(=O)CN2C[C@@H]3C[C@H]2CN3CC(=O)NC2(C(F)(F)F)CC2)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 5/20 0.43
LMNA P02545 4/20 0.43
HTT P42858 3/20 0.43
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.42
CXCR6 O00574 1/20 0.42
MEN1 O00255 3/20 0.41
CACNA1H O95180 1/20 0.40
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL26467001 0.89 LTA4H (0.38) L3MBTL1ALDH1A1LMNAHTTMAPK1
SCHEMBL26466001 0.89 L3MBTL1 (0.48) L3MBTL1ALDH1A1LMNAHTTMAPK1
SCHEMBL26466926 0.86 ALDH1A1 (0.47) L3MBTL1ALDH1A1LMNAHTTMAPK1
SCHEMBL26466243 0.85 HPGD (0.49) ALDH1A1SMN1; SMN2MAPTKMT2ACACNA1H
SCHEMBL26466594 0.85 HPGD (0.49) ALDH1A1SMN1; SMN2MAPTKMT2ACACNA1H
SCHEMBL26466250 0.85 HPGD (0.49) ALDH1A1SMN1; SMN2MAPTKMT2ACACNA1H
SCHEMBL26466922 0.84 CACNA1H (0.41) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL26466913 0.83 L3MBTL1 (0.48) L3MBTL1ALDH1A1LMNAHTTMAPK1
SCHEMBL26466915 0.83 CACNA1H (0.46) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL26466916 0.81 SIGMAR1 (0.42) MAPTCACNA1HTSHRLTA4H

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