SCHEMBL24737114

SCHEMBL24737114

c1ccc(N2CCCC2)c(C2CCCN2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.41
▸ 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
▸ MAPK1 P28482 1/20 0.40
▸ TAAR1 Q96RJ0 2/20 0.39
▸ EEF2K O00418 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KCNQ2 O43526 1/20 0.37
▸ ADRB1 P08588 1/20 0.36

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
SCHEMBL23487421 0.88 CHRM5 (0.36) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL28907793 0.88 ACHE (0.40) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL28535049 0.88 ADRA2C (0.45) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL28533132 0.84 PIM1 (0.37) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL23323108 0.81 PIM1 (0.40) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL24853469 0.79 TAAR1 (0.40) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL23323167 0.78 TAAR1 (0.37) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL31198346 0.74 KEAP1 (0.48) KEAP1MAPK1EEF2KCHRNA7MEN1
SCHEMBL23064483 0.74 KEAP1 (0.48) KEAP1MAPK1EEF2KCHRNA7MEN1
SCHEMBL18701462 0.73 HTR2C (0.50) KEAP1MAPK1ADRB1

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 5 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
WO-2022256489-A1 METHODS OF TREATING B-CELL MALIGNANCY USING BCL-2 INHIBITOR BEIGENE, LTD. (KY) 2022-12-08 — — WO disclosed
CN-112437772-A Bcl-2 inhibitors 百济神州有限公司 2021-03-02 — — CN disclosed
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