SCHEMBL26409170

SCHEMBL26409170

O=C(NC12CC3CC(CC(C3)C1)C2)C1CCC2(CC1)CN(CC1(O)CCC(F)(F)CC1)C2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.35
ALDH1A1 P00352 2/20 0.34
EPHX1 P07099 9/20 0.34
TSHR P16473 1/20 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
SCHEMBL26409297 0.88
SCHEMBL26409162 0.78
SCHEMBL26409172 0.74 CACNA1H (0.43) EPHX2ALDH1A1EPHX1
SCHEMBL26409165 0.73 ALDH1A1 (0.43) EPHX2ALDH1A1EPHX1
SCHEMBL26409928 0.73 CACNA1H (0.61) EPHX2ALDH1A1EPHX1
SCHEMBL26409167 0.73 CACNA1H (0.41) EPHX2ALDH1A1EPHX1
SCHEMBL26408047 0.70 GRM4 (0.43) EPHX2ALDH1A1
SCHEMBL26465828 0.68 ALDH1A1 (0.48) ALDH1A1EPHX1
SCHEMBL26466619 0.67 ALDH1A1 (0.43) EPHX2ALDH1A1
SCHEMBL2638872 0.66 EPHX2 (0.57) EPHX2ALDH1A1EPHX1TSHR

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