SCHEMBL26408685

SCHEMBL26408685

O=C(CN1CC2(CCC(C(=O)Nc3cccc(Cl)c3)CC2)C1)NC1(C(F)(F)F)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
MGLL Q99685 4/20 0.43
MALT1 Q9UDY8 1/20 0.42
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
EGFR P00533 2/20 0.41
KCNT1 Q5JUK3 1/20 0.40

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
SCHEMBL26408686 0.96 MAPT (0.43) TP53MAPTMGLLMALT1ALPL
SCHEMBL26408701 0.89 NPSR1 (0.49) KMT2AALDH1A1
SCHEMBL26408699 0.88 MALT1 (0.47) MALT1KMT2AALDH1A1
SCHEMBL26408693 0.87 LMNA (0.41) MAPTMGLLPOLB
SCHEMBL26408044 0.87 CACNA1H (0.48) MGLLKMT2AALDH1A1
SCHEMBL26408695 0.86 SMN1; SMN2 (0.48) TP53MAPTMGLLKMT2AALDH1A1
SCHEMBL26408707 0.86 MGLL (0.43) TP53MAPTMGLLMALT1KMT2A
SCHEMBL26408696 0.85 SMN1; SMN2 (0.47) TP53MAPTKMT2AALDH1A1POLB
SCHEMBL26408939 0.84 NPY5R (0.43) TP53MAPTKMT2A
SCHEMBL26408948 0.84 SIGMAR1 (0.47) MAPTPOLB

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