SCHEMBL26409305

SCHEMBL26409305

COc1cc(Cl)cc(NC(=O)C2CCC3(CC2)CN(CC(=O)NC2(C(F)(F)F)CC2)C3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 2/20 0.42
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MGLL Q99685 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ACKR3 P25106 2/20 0.36
TP53 P04637 2/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 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
SCHEMBL26408251 0.90 CACNA1H (0.43) CACNA1HMAPTMGLLSMN1; SMN2KDM4E
SCHEMBL26408044 0.88 CACNA1H (0.48) CACNA1HMEN1KMT2AMGLLSMN1; SMN2
SCHEMBL26408263 0.87 CACNA1H (0.42) CACNA1HMAPTMEN1KMT2AMGLL
SCHEMBL26408695 0.87 SMN1; SMN2 (0.48) MAPTMEN1KMT2AMGLLSMN1; SMN2
SCHEMBL26409300 0.86 CACNA1H (0.45) CACNA1HMEN1KMT2AMGLLSMN1; SMN2
SCHEMBL26408685 0.84 TP53 (0.44) MAPTKMT2AMGLLALDH1A1TP53
SCHEMBL26409298 0.84 MALT1 (0.41) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL26408937 0.83 HRH2 (0.40) CACNA1HMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL26408699 0.81 MALT1 (0.47) CACNA1HMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL26408686 0.81 MAPT (0.43) MAPTKMT2AMGLLALDH1A1TP53

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-2023192675-A1 T-TYPE CALCIUM CHANNEL MODULATORS COMPRISING AN AZASPIRONONANE CORE AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-05 WO disclosed