SCHEMBL28131823

SCHEMBL28131823

Nc1nccc(C2CCNCC2)c1S(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.38
▸ ROCK1 Q13464 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL27905525 0.93 HRH3 (0.35) HRH3
SCHEMBL30769910 0.78 TLR9 (0.43) HTR6ROCK1MKNK1MKNK2HTR1A
SCHEMBL2244757 0.78 TLR9 (0.43) HTR6ROCK1MKNK1MKNK2HTR1A
Hydrochloric Acid SCHEMBL27035336 0.76 HTR2C (0.42) HTR6ROCK1MKNK1MKNK2HTR1A
SCHEMBL27965089 0.73 PARP1 (0.42) HTR6ROCK1MKNK1MKNK2HTR1A
SCHEMBL21311738 0.72 HRH3 (0.35) ROCK1MKNK1MKNK2HRH3
SCHEMBL8562692 0.72 HTT (0.40) HTR6ROCK1MKNK1MKNK2HTR1A
SCHEMBL27717746 0.72 HTR6 (0.36) HTR6
SCHEMBL1429509 0.71 HTR1A (0.55) HTR1ASLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL27035428 0.70 HRH4 (0.41) HTR6ROCK1HTR1ASLC6A2SLC6A4

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-109966294-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2019-07-05 — — CN disclosed
CN-109897038-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2019-06-18 — — CN disclosed
CN-106008466-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维公司 2018-12-14 — — CN disclosed
CN-106397418-A APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE公司 2017-02-15 — — CN disclosed
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