SCHEMBL6198490

SCHEMBL6198490

O=C(c1ccccc1)N1[CH]CCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.57
ALDH1A1 P00352 1/20 0.57
AVPR2 P30518 5/20 0.44
AVPR1A P37288 5/20 0.44
OXTR P30559 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
STAT3 P40763 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL1450289 0.79 NOTUM (0.54) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6199039 0.75 TSHR (0.45) ALDH1A1RAB9ANPC1KMT2APOLB
SCHEMBL5783412 0.72 HPGD (1.00) HPGDALDH1A1AVPR2AVPR1AOXTR
SCHEMBL31556814 0.72 HPGD (1.00) HPGDALDH1A1AVPR2AVPR1AOXTR
SCHEMBL6198494 0.72 HPGD (0.55) HPGDALDH1A1AVPR2AVPR1AOXTR
SCHEMBL29463754 0.70 ALDH1A1 (0.81) HPGDALDH1A1AVPR2AVPR1AOXTR
SCHEMBL6198498 0.70 ALDH1A1 (0.81) HPGDALDH1A1AVPR2AVPR1AOXTR
SCHEMBL7387073 0.70 ALDH1A1 (0.53) HPGDALDH1A1AVPR2AVPR1AOXTR
SCHEMBL8935519 0.69 SIGMAR1 (0.42) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL31680509 0.67 HPGD (0.90) HPGDALDH1A1AVPR2AVPR1AOXTR

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