SCHEMBL28907795

SCHEMBL28907795

c1ccc(C2CCCN2)c(OC2CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HRH1 P35367 2/20 0.41
▸ CHRM5 P08912 5/20 0.40
▸ CHRM3 P20309 5/20 0.40
▸ CHRM2 P08172 5/20 0.40
▸ CHRM1 P11229 4/20 0.40
▸ CHRM4 P08173 4/20 0.40
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ HTR1A P08908 2/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ TACR1 P25103 1/20 0.38

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
SCHEMBL23323086 0.87 MEN1 (0.44) MEN1KMT2AHRH1CHRM5CHRM3
SCHEMBL23487072 0.83 MEN1 (0.43) MEN1KMT2ACHRM5CHRM3CHRM2
SCHEMBL469013 0.81 MEN1 (0.65) MEN1KMT2ACHRNB4CHRNA3TACR1
SCHEMBL29589447 0.81 MEN1 (0.65) MEN1KMT2ACHRNB4CHRNA3TACR1
SCHEMBL23323077 0.81 MEN1 (0.65) MEN1KMT2ACHRNB4CHRNA3TACR1
SCHEMBL23064531 0.81 MEN1 (0.49) MEN1KMT2ACHRNB2CHRNA4HTR1A
SCHEMBL31198369 0.81 TACR1 (0.46) MEN1KMT2ACHRM5CHRM3CHRM2
SCHEMBL16796794 0.81 TACR1 (0.46) MEN1KMT2ACHRM5CHRM3CHRM2
SCHEMBL28500167 0.81 MEN1 (0.49) MEN1KMT2ACHRNB2CHRNA4HTR1A
SCHEMBL11509481 0.79 HTR1A (0.58) MEN1KMT2ACHRM5CHRM3CHRM2

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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