SCHEMBL26467008

SCHEMBL26467008

Cc1ccc(NC(=O)CN2C[C@@H]3C[C@H]2CN3CC(=O)NC(C)(C)C)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
HPGD P15428 3/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 2/20 0.53
TSHR P16473 1/20 0.53
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CACNA1H O95180 1/20 0.46
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
ALOX15 P16050 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
POLB P06746 3/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.43
GAA P10253 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL26466230 0.88 HTT (0.55) ALDH1A1HPGDTSHRSMN1; SMN2MAPT
SCHEMBL26466245 0.88 HTT (0.55) ALDH1A1HPGDTSHRSMN1; SMN2MAPT
SCHEMBL26466418 0.88 HTT (0.55) ALDH1A1HPGDTSHRSMN1; SMN2MAPT
SCHEMBL26466917 0.85 SIGMAR1 (0.46) HPGDTSHRMAPTCACNA1HL3MBTL1
SCHEMBL26466913 0.84 L3MBTL1 (0.48) ALDH1A1LMNAMAPK1SMN1; SMN2MAPT
SCHEMBL26466402 0.83 CACNA1H (0.65) CACNA1HKMT2A
SCHEMBL26466613 0.83 CACNA1H (0.52) ALDH1A1MAPTCACNA1HKMT2AMEN1
SCHEMBL26466921 0.82 CACNA1H (0.41) HPGDTSHRCACNA1HKMT2AL3MBTL1
SCHEMBL26466611 0.82 HTT (0.55) ALDH1A1HPGDTSHRSMN1; SMN2MAPT
SCHEMBL26466621 0.81 CACNA1H (0.47) ALDH1A1LMNAMAPTCACNA1H

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