SCHEMBL26408706

SCHEMBL26408706

O=C(CN1CC2(CCC(C(=O)Nc3cc(F)cc(OC(F)F)c3)CC2)C1)NC1(C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 3/20 0.36
ABL1 P00519 1/20 0.34
KDR P35968 6/20 0.34
CCR3 P51677 1/20 0.33
BRAF P15056 1/20 0.32
POLB P06746 1/20 0.31
MGLL Q99685 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30

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) CACNA1HMGLL
SCHEMBL26408263 0.86 CACNA1H (0.42) CACNA1HMGLL
SCHEMBL26408705 0.85 NPSR1 (0.40) CACNA1HKDRPOLBFFAR4
SCHEMBL26408044 0.85 CACNA1H (0.48) CACNA1HMGLLFFAR4
SCHEMBL26408935 0.84 CACNA1H (0.34) CACNA1HABL1KDRBRAFPOLB
SCHEMBL26464769 0.83 LMNA (0.44) POLB
SCHEMBL26409305 0.80 CACNA1H (0.42) CACNA1HMGLL
SCHEMBL26408941 0.80 MALT1 (0.36) CACNA1HABL1KDR
SCHEMBL26465563 0.79 CACNA1H (0.42) CACNA1H
SCHEMBL26408695 0.79 SMN1; SMN2 (0.48) MGLL

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