SCHEMBL28907793

SCHEMBL28907793

c1ccc(N2CCOCC2)c(C2CCCN2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.40
▸ CHRM5 P08912 3/20 0.40
▸ CHRM3 P20309 3/20 0.40
▸ CHRM2 P08172 3/20 0.40
▸ CHRM1 P11229 2/20 0.40
▸ CHRM4 P08173 2/20 0.40
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CHRNB2 P17787 2/20 0.37
▸ CHRNA4 P43681 2/20 0.37

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
SCHEMBL24737114 0.88 KEAP1 (0.41) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL23487421 0.82 CHRM5 (0.36) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL28535049 0.82 ADRA2C (0.45) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL22820483 0.81 CCR5 (0.40) L3MBTL1MAPTMEN1KMT2AHSD17B10
SCHEMBL28533132 0.79 PIM1 (0.37) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL23064481 0.76 ACHE (0.47) ACHEDDB1CRBNLMNAL3MBTL1
SCHEMBL27868018 0.76 HTR2C (0.47) ACHEDDB1CRBNLMNA
SCHEMBL28533812 0.75 CHRM5 (0.44) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL28946621 0.75 CHRM5 (0.44) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL30078337 0.75 CHRM5 (0.44) CHRM5CHRM3CHRM2CHRM1CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117683029-A Bcl-2 inhibitors 百济神州有限公司 2024-03-12 — — CN disclosed
CN-117430601-A Bcl-2 inhibitors 百济神州有限公司 2024-01-23 — — CN disclosed
CN-112437772-B Bcl-2 inhibitors 百济神州有限公司 2023-11-21 — — CN disclosed
CN-112437772-A Bcl-2 inhibitors 百济神州有限公司 2021-03-02 — — CN disclosed
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