SCHEMBL26465811

SCHEMBL26465811

COc1ccc(F)c(NC(=O)CN2CC3CC(C2)N3CC(=O)NC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
CACNA1H O95180 7/20 0.49
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.40
GPR55 Q9Y2T6 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
SCHEMBL26464503 0.87 KCNT1 (0.49) ALDH1A1CACNA1HKMT2ALMNAPOLB
SCHEMBL26465708 0.83 CACNA1H (0.49) ALDH1A1CACNA1HKMT2AMAPTTSHR
SCHEMBL26465562 0.82 SMN1; SMN2 (0.57) ALDH1A1CACNA1HKMT2AMAPTTSHR
SCHEMBL26465573 0.82 CACNA1H (0.72) ALDH1A1CACNA1HKMT2ALMNASMN1; SMN2
SCHEMBL26465833 0.80 CACNA1H (0.56) ALDH1A1CACNA1HKMT2ALMNASMN1; SMN2
SCHEMBL26465699 0.78 HPGD (0.55) ALDH1A1CACNA1HKMT2AMAPTTSHR
SCHEMBL26465812 0.78 CACNA1H (0.47) ALDH1A1CACNA1HKMT2AMAPTTSHR
SCHEMBL26465810 0.78 CACNA1H (0.47) ALDH1A1CACNA1HMAPTUSP2LMNA
SCHEMBL26465710 0.77 HTT (0.50) ALDH1A1CACNA1HKMT2ATSHRLMNA
SCHEMBL26465838 0.75 CACNA1H (0.55) ALDH1A1CACNA1HRECQL

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