SCHEMBL28526259

SCHEMBL28526259

CCCc1ccccc1C1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MPO P05164 1/20 0.40
CHRM5 P08912 5/20 0.39
CHRM3 P20309 5/20 0.39
CHRM2 P08172 5/20 0.39
CHRM1 P11229 4/20 0.39
CHRM4 P08173 4/20 0.39
TAAR1 Q96RJ0 1/20 0.38
CHRNA7 P36544 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
HCRTR2 O43614 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
SCHEMBL28533797 1.00 MEN1 (0.40) MEN1KMT2AMPOCHRM5CHRM3
SCHEMBL28527483 0.91 MPO (0.38) MEN1KMT2AMPOCHRM5CHRM3
SCHEMBL28540055 0.87 HCRTR2 (0.47) MEN1KMT2AMPOCHRM5CHRM3
SCHEMBL28909603 0.87 HCRTR2 (0.47) MEN1KMT2AMPOCHRM5CHRM3
SCHEMBL20170480 0.87 HCRTR2 (0.47) MEN1KMT2AMPOCHRM5CHRM3
SCHEMBL28526506 0.83 TAAR1 (0.42) MEN1KMT2AMPOCHRM5CHRM3
SCHEMBL17345636 0.82 MPO (0.48) MEN1KMT2AMPOCHRM5CHRM3
SCHEMBL28236055 0.81 ADRA2B (0.36)
SCHEMBL28532896 0.81 SLC6A4 (0.40) MEN1KMT2AMPOCHRM5CHRM3
SCHEMBL21516391 0.81 MPO (0.47) MEN1KMT2AMPOCHRNA7CHRNB2

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