SCHEMBL30499280

SCHEMBL30499280

NC(=O)CCN1CCNCC1CO

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA4 P22748 4/20 0.35
CA9 Q16790 4/20 0.35
FPR2 P25090 1/20 0.34
SCN9A Q15858 1/20 0.34
TDP1 Q9NUW8 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRNB3 Q05901 1/20 0.30
CHRNA6 Q15825 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
SCHEMBL11077242 0.87 L3MBTL1 (0.37) L3MBTL1CA1CA2CA4CA9
SCHEMBL28435066 0.82 L3MBTL1 (0.33) L3MBTL1CA1CA2CA4CA9
SCHEMBL3834096 0.79 TDP1 (0.35) L3MBTL1CA1CA2CA4CA9
SCHEMBL6425453 0.79 L3MBTL1 (0.38) L3MBTL1
SCHEMBL19719415 0.78 TSHR (0.36) L3MBTL1
SCHEMBL19448264 0.78 TSHR (0.36) L3MBTL1
SCHEMBL19719451 0.78 TSHR (0.36) L3MBTL1
SCHEMBL9844016 0.78 MITF (0.55) L3MBTL1CA1CA2CA4CA9
SCHEMBL6645271 0.78 TAAR1 (0.41) L3MBTL1TDP1
SCHEMBL8777407 0.75 CA1 (0.33) L3MBTL1CA1CA2CA4CA9

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
CN-116096719-A Pyridazinylamino derivatives as ALK5 inhibitors 奇斯药制品公司 2023-05-09 CN disclosed