SCHEMBL26408696

SCHEMBL26408696

CCOc1cccc(NC(=O)C2CCC3(CC2)CN(CC(=O)NC2(C(F)(F)F)CC2)C3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
POLB P06746 1/20 0.41
F10 P00742 7/20 0.41
EPHX2 P34913 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 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
SCHEMBL26408695 0.91 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1TP53NPSR1GAA
SCHEMBL26408701 0.87 NPSR1 (0.49) ALDH1A1NPSR1HSD17B10KDM4EMEN1
SCHEMBL26408685 0.85 TP53 (0.44) ALDH1A1TP53MAPTPOLBKMT2A
SCHEMBL26408693 0.83 LMNA (0.41) SMN1; SMN2HTTLMNANPSR1GAA
SCHEMBL26408686 0.82 MAPT (0.43) ALDH1A1HTTTP53LMNAGAA
SCHEMBL26408251 0.81 CACNA1H (0.43) SMN1; SMN2ALDH1A1TP53LMNAMAPT
SCHEMBL26408948 0.81 SIGMAR1 (0.47) MAPTPOLBHCRTR1HCRTR2
SCHEMBL26408937 0.80 HRH2 (0.40) SMN1; SMN2ALDH1A1LMNANPSR1POLB
SCHEMBL26409305 0.80 CACNA1H (0.42) SMN1; SMN2ALDH1A1TP53LMNAMAPT
SCHEMBL26408941 0.80 MALT1 (0.36) MAPTMEN1KMT2A

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