SCHEMBL7346554

SCHEMBL7346554

OCCC(O)CNc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 1/20 0.56
DNM1 Q05193 2/20 0.51
PTGER1 P34995 1/20 0.44
PTGFR P43088 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
BCHE P06276 1/20 0.43
LMNA P02545 1/20 0.43
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
ABCB1 P08183 2/20 0.40
KDM1A O60341 1/20 0.39

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
SCHEMBL7277860 0.85 MAPT (0.68) MAPTSMN1; SMN2HTTDNM1ALDH1A1
SCHEMBL1298434 0.83 MAPT (0.61) MAPTSMN1; SMN2HTTDNM1ALDH1A1
SCHEMBL12942805 0.82 MAPT (0.56) MAPTSMN1; SMN2HTTDNM1PTGER1
SCHEMBL7346548 0.82 MAPT (0.56) MAPTSMN1; SMN2HTTDNM1PTGER1
SCHEMBL1291693 0.82 MAPT (0.61) MAPTSMN1; SMN2HTTDNM1PTGER1
SCHEMBL28335665 0.81 MAPT (0.59) MAPTSMN1; SMN2HTTDNM1PTGER1
SCHEMBL17894138 0.79 MAPT (0.57) MAPTSMN1; SMN2HTTDNM1PTGER1
SCHEMBL411945 0.79 MAPT (0.61) MAPTSMN1; SMN2HTTDNM1ALDH1A1
SCHEMBL8369004 0.79 MAPT (0.61) MAPTSMN1; SMN2HTTDNM1ALDH1A1
SCHEMBL28047682 0.78 MAPT (0.51) MAPTSMN1; SMN2HTTDNM1PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed