SCHEMBL31437048

SCHEMBL31437048

O=C1CCCC(=O)N1N1C[C@H]2CC[C@@H](C1)N2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.34
▸ CHRNA3 P32297 2/20 0.34
▸ CHRNA4 P43681 2/20 0.34
▸ CHRNB3 Q05901 1/20 0.34
▸ CHRNA6 Q15825 1/20 0.34
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ BRD4 O60885 1/20 0.31
▸ BRD2 P25440 1/20 0.31

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
SCHEMBL15509629 0.63 CHRM2 (0.37) BRD4BRD2
SCHEMBL28656618 0.63 KMT2A (0.34) BRD4BRD2
SCHEMBL3626737 0.61 KDM4E (0.38) BRD4BRD2
SCHEMBL15034401 0.61 BRD4 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15034405 0.61 BRD4 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL16487712 0.61 BRD4 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15265151 0.60 L3MBTL3 (0.42) —
SCHEMBL27766995 0.60 NPC1 (0.34) —
SCHEMBL22299289 0.60 CHRNB2 (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19972424 0.58 KDM4E (0.31) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119630644-A Bifunctional compounds containing pyrimidine derivatives for degradation of cyclin-dependent kinase 2 via the ubiquitin proteasome pathway 霖康疗法公司 2025-03-14 — — CN disclosed
CN-119630651-A Bifunctional compounds containing substituted pyrimidine derivatives for degradation of cyclin-dependent kinase 2 via the ubiquitin proteasome pathway 霖康疗法公司 2025-03-14 — — CN disclosed
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