SCHEMBL31145289

SCHEMBL31145289

c1cc(N2CC3CC2CN3)c(NCc2ccc3nccnc3c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 11/20 0.43
▸ CHRNA4 P43681 11/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ SHMT2 P34897 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39

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
SCHEMBL25243147 1.00 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3SHMT2
SCHEMBL30417315 0.85 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL25292536 0.85 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL25249375 0.85 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL30416573 0.85 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL25292610 0.80 SHMT2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3SHMT2
SCHEMBL31145218 0.80 SHMT2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3SHMT2
SCHEMBL30417276 0.78 PIM2 (0.42) CHRNB2CHRNA4SHMT2PIM2
SCHEMBL25287892 0.78 PIM2 (0.42) CHRNB2CHRNA4SHMT2PIM2
SCHEMBL25779674 0.77 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3SHMT2

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-118786217-A Aptamer and small molecule ligand 梅里特斯英国第二有限公司 2024-10-15 — — CN disclosed
Send feedback