SCHEMBL29138886

SCHEMBL29138886

COc1ccc([C@H]2COCC(C)N2)nn1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.32
▸ CHRNA4 P43681 2/20 0.32
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ BRD4 O60885 1/20 0.30
▸ CREBBP Q92793 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
SCHEMBL29138901 1.00 CHRNB2 (0.32) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL24541089 1.00 CHRNB2 (0.32) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL24541090 1.00 CHRNB2 (0.32) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL24541094 1.00 CHRNB2 (0.32) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL24540747 0.86 SMN1; SMN2 (0.34) —
SCHEMBL24540736 0.86 SMN1; SMN2 (0.34) —
SCHEMBL24540735 0.86 SMN1; SMN2 (0.34) —
SCHEMBL24541109 0.86 KCNH2 (0.31) —
SCHEMBL24541110 0.86 KCNH2 (0.31) —
SCHEMBL24541106 0.86 KCNH2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116888120-A PRMTS inhibitors 美国安进公司 2023-10-13 — — CN disclosed
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