SCHEMBL6201353

SCHEMBL6201353

O=C(O)c1c[c]ccc1NCCN1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
DRD3 P35462 1/20 0.42
METAP2 P50579 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
ACP1 P24666 3/20 0.39
SMARCA2 P51531 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
RAB9A P51151 1/20 0.39
TOP2A P11388 1/20 0.38
KAT2B Q92831 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
SCHEMBL4928911 0.79 ALDH1A1 (0.58) MEN1KMT2APOLBDRD3METAP2
SCHEMBL5968104 0.78 HRH3 (0.43) DRD3HRH3ACP1SMARCA2RAB9A
SCHEMBL4967103 0.75 HRH3 (0.47) POLBHRH3RAB9A
SCHEMBL8877516 0.74 KMT2A (0.45) MEN1KMT2APOLBDRD3RAB9A
SCHEMBL21740126 0.74 MAPT (0.60) MEN1KMT2APOLBDRD3METAP2
SCHEMBL11465415 0.71 DRD3 (0.51) MEN1KMT2APOLBDRD3HRH3
SCHEMBL2181725 0.70 APAF1 (0.46) MEN1KMT2APOLBDRD3HRH3
SCHEMBL29264914 0.70 HRH3 (0.47) HRH3ACP1
SCHEMBL3041462 0.70 NPSR1 (0.53) MEN1KMT2APOLBCYP1A2CYP2D6
SCHEMBL1068474 0.69 ESRRG (0.54) MEN1KMT2APOLBCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 EP disclosed
EP-0934937-B1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMA CO LTD (JP) 2002-02-27 EP disclosed
US-RE37556-E1 (ALKOXYPHENYL)THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1130017-A2 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP disclosed
US-6080764-A PROTECTING VARIOUS TISSUE CELLS FROM DISTURBANCES ASSOCIATED WITH ISCHEMIA AND BLOOD REPERFUSION IN HEART, BRAIN, KIDNEY, LUNG AND DIGESTIVE TRACT BY INHIBITING SUPEROXIDE-RELEASE BY NEUTROPHILIC LEUKOCYTES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed