SCHEMBL7300668

SCHEMBL7300668

CN1CCN(CCCOc2ccc(C(N)=NO)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.62
GAA P10253 2/20 0.62
NPC1 O15118 2/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
USP2 O75604 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
HRH3 Q9Y5N1 5/20 0.53
DRD3 P35462 2/20 0.52
DRD2 P14416 1/20 0.51
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
HRH2 P25021 3/20 0.50
HRH1 P35367 3/20 0.50
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL1714784 0.94 RAB9A (0.65) RAB9AGAANPC1LMNATP53
SCHEMBL1714789 0.94 RAB9A (0.65) RAB9AGAANPC1LMNATP53
SCHEMBL14367453 0.94 RAB9A (0.65) RAB9AGAANPC1LMNATP53
Hydrochloric Acid SCHEMBL1715672 0.93 RAB9A (0.63) RAB9AGAANPC1LMNATP53
Hydrochloric Acid SCHEMBL1715673 0.93 RAB9A (0.63) RAB9AGAANPC1LMNATP53
SCHEMBL7292450 0.88 HRH3 (0.61) RAB9AGAAALDH1A1HRH3KDM4E
SCHEMBL7293962 0.85 HRH3 (0.62) RAB9AGAANPC1LMNATP53
SCHEMBL14367445 0.82 DRD2 (0.55) RAB9AGAAMAPTHRH3DRD2
SCHEMBL13403634 0.82 GAA (0.53) RAB9AGAANPC1LMNATP53
SCHEMBL2338942 0.82 GAA (0.53) RAB9AGAANPC1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0504574-B1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same WAKAMOTO PHARMA CO LTD (JP) 1996-02-28 EP claimed
EP-0504574-A1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-09-23 EP claimed
EP-0504574-B1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same WAKAMOTO PHARMA CO LTD (JP) 1996-02-28 EP disclosed
US-5356916-A Treating Parkinson*s disease WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1994-10-18 US disclosed
EP-0504574-A1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-09-23 EP disclosed