SCHEMBL6960807

SCHEMBL6960807

COC(=O)c1cnc2cc(CN(C)c3ccccc3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 7/20 0.48
MAOB P27338 3/20 0.45
CFTR P13569 1/20 0.44
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
PSMD14 O00487 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
MGAM O43451 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
SCHEMBL6962919 0.81 MAOB (0.51) HPGDSMAOBALOX15HTTPSMD14
SCHEMBL6958945 0.79 CRHBP (0.42) KDM4EALDH1A1CRHBPCRHR2
SCHEMBL3607026 0.78 HDAC3 (0.58) HDAC1HDAC3HDAC2NCOR2KDM4E
SCHEMBL6958317 0.78 CRHBP (0.40) CFTRHDAC1HDAC3HDAC2NCOR2
SCHEMBL18571617 0.76 MAOB (0.67) HPGDSMAOBHPGD
SCHEMBL2031896 0.75 ALOX15 (0.65) HPGDSCFTRALOX15HTTPSMD14
SCHEMBL29505143 0.75 ALOX15 (0.65) HPGDSCFTRALOX15HTTPSMD14
SCHEMBL6960815 0.75 HPGDS (0.47) HPGDSMAOBALOX15HTTPSMD14
SCHEMBL12132268 0.73 ALOX15 (0.49) HPGDSCFTRALOX15HTTPSMD14
SCHEMBL17221411 0.73 MAOB (0.53) HPGDSMAOBALOX15HTTPSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787725-B1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO (JP) 2003-04-23 EP disclosed
US-5693651-A HYPOGLYCEMIC AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1997-12-02 US disclosed
EP-0787725-A1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-08-06 EP disclosed