SCHEMBL23558587

SCHEMBL23558587

CN1CCC2(CC1)C(=O)N(C)c1ncccc12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 6/20 0.43
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
BACE1 P56817 3/20 0.37
KCNH2 Q12809 1/20 0.36

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
SCHEMBL21993355 0.91 EGLN1 (0.41) EGLN1OPRM1OPRK1OPRL1BACE1
SCHEMBL2525874 0.84 BACE1 (0.39) EGLN1OPRM1BACE1
SCHEMBL12582456 0.79 EGLN1 (0.70) EGLN1
SCHEMBL30485278 0.77 EGLN1 (0.34) EGLN1BACE1KCNH2
SCHEMBL14668941 0.77 BACE1 (0.34) EGLN1BACE1KCNH2
SCHEMBL8053306 0.75 OPRL1 (0.61) EGLN1OPRM1OPRK1OPRL1
SCHEMBL3519201 0.74 LMNA (0.37) BACE1
SCHEMBL1700112 0.73 CALCA (0.49)
SCHEMBL8687319 0.73 LMNA (0.35) BACE1KCNH2
SCHEMBL25890242 0.72 ADORA3 (0.37) KCNH2

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-2021127328-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed