SCHEMBL8413686

SCHEMBL8413686

COC(=O)CCC1CCC(C=O)C(c2ccc(C#N)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.41
KCNH2 Q12809 1/20 0.39
MAOB P27338 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
EPHX2 P34913 1/20 0.37
ITK Q08881 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
HTT P42858 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
SCHEMBL8413848 0.85 HRH3 (0.42) KDM1AKCNH2MAOBCYP11B1CYP11B2
SCHEMBL28027502 0.75 TSHR (0.38) EPHX2
SCHEMBL25222944 0.73 KDM1A (0.42) KDM1AMAOBEPHX2ITKHRH3
SCHEMBL7392978 0.71 DRD2 (0.36) KDM1AKCNH2EPHX2
SCHEMBL7392980 0.71 DRD2 (0.36) KDM1AKCNH2EPHX2
SCHEMBL23987097 0.70 EPHX2 (0.41) KDM1AKCNH2MAOBEPHX2HRH3
SCHEMBL8910493 0.68 DRD2 (0.37) KDM1AHTT
SCHEMBL7384878 0.68 DRD2 (0.41) KDM1ACYP11B1CYP11B2EPHX2
SCHEMBL7385405 0.68 DRD2 (0.41) KDM1ACYP11B1CYP11B2EPHX2
SCHEMBL7384873 0.68 DRD2 (0.41) KDM1ACYP11B1CYP11B2EPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed