SCHEMBL17631951

SCHEMBL17631951

N#CN(C(=O)C1CCNC1)c1ccc(Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ CHEK1 O14757 1/20 0.36
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL17632787 0.86 MEN1 (0.40) KCNH2
SCHEMBL17632326 0.83 USP30 (0.49) CHEK1
SCHEMBL17631943 0.83 USP30 (0.49) CHEK1
SCHEMBL17632002 0.83 CDK9 (0.41) CHEK1
SCHEMBL17632146 0.82 USP30 (0.41) KCNH2
SCHEMBL17631775 0.82 KDM4E (0.41) —
SCHEMBL17631859 0.82 USP30 (0.39) CHEK1
SCHEMBL17632600 0.81 CDK9 (0.39) —
SCHEMBL17631958 0.80 MKNK1 (0.45) CHEK1KCNH2
SCHEMBL17632076 0.80 USP30 (0.39) KCNH2

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
EP-3197883-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2017-08-02 — — EP claimed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO claimed
EP-3197883-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2017-08-02 — — EP disclosed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO disclosed
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