SCHEMBL26409167

SCHEMBL26409167

CC(C)(C)C(O)CN1CC2(CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 6/20 0.41
EPHX2 P34913 8/20 0.38
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX1 P07099 4/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL26409928 0.82 CACNA1H (0.61) CACNA1HEPHX2KMT2AEPHX1KDM4E
SCHEMBL26409172 0.81 CACNA1H (0.43) CACNA1HEPHX2EPHX1KDM4EALDH1A1
SCHEMBL26409165 0.73 ALDH1A1 (0.43) CACNA1HEPHX2EPHX1KDM4EALDH1A1
SCHEMBL26409170 0.73 EPHX2 (0.35) EPHX2EPHX1ALDH1A1
SCHEMBL26409689 0.70 CACNA1H (0.45) CACNA1HKMT2ASMN1; SMN2ALDH1A1
SCHEMBL26082692 0.69 CACNA1H (0.74) CACNA1HEPHX2KMT2AEPHX1KDM4E
SCHEMBL26465836 0.67 CACNA1H (0.56) CACNA1HEPHX2EPHX1KDM4EALDH1A1
SCHEMBL2638872 0.66 EPHX2 (0.57) EPHX2KMT2AEPHX1ALDH1A1
SCHEMBL26353760 0.66 EPHX2 (0.48) EPHX2KMT2ASMN1; SMN2EPHX1ALDH1A1
SCHEMBL2638571 0.65 EPHX2 (0.59) EPHX2KMT2AEPHX1ALDH1A1

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