SCHEMBL25510694

SCHEMBL25510694

CC(=O)N1CCC2CC2(N)C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
EPHX1 P07099 5/20 0.37
EPHX2 P34913 13/20 0.37
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 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
SCHEMBL15246438 0.81 SMN1; SMN2 (0.44) SMN1; SMN2EPHX1EPHX2
SCHEMBL25500452 0.81 CHRNB2 (0.36) EPHX2
SCHEMBL18247666 0.77 HPGD (0.46) SMN1; SMN2EPHX1EPHX2
SCHEMBL21077867 0.74 KMT2A (0.54) EPHX2
SCHEMBL26141153 0.71 EPHX2 (0.38) SMN1; SMN2EPHX1EPHX2
SCHEMBL24568867 0.70
SCHEMBL18339480 0.67 GRM2 (0.32)
SCHEMBL38655537 0.67 GRM2 (0.32)
SCHEMBL17875088 0.67 EPHX1 (0.55) EPHX1EPHX2
SCHEMBL3317490 0.67 EPHX2 (0.42) SMN1; SMN2EPHX1EPHX2

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-2023083365-A1 PAD4 INHIBITORS AND USE THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2023-05-19 WO disclosed