SCHEMBL7288676

SCHEMBL7288676

COc1cccc(CNCC(O)CCCC[O])c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.57
BCHE P06276 2/20 0.56
CHRM2 P08172 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HDAC1 Q13547 2/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MMP13 P45452 1/20 0.46
CTSD P07339 1/20 0.45
SCN8A Q9UQD0 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BACE1 P56817 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL7288681 0.89 DNM1 (0.58) DNM1BCHECHRM2MEN1KMT2A
SCHEMBL168266 0.82 DNM1 (0.62) DNM1BCHECHRM2MEN1KMT2A
SCHEMBL7360751 0.81 MEN1 (0.53) MEN1KMT2AHDAC1ALDH1A1KDM4E
SCHEMBL2924382 0.80 DNM1 (0.62) DNM1BCHECHRM2MEN1KMT2A
SCHEMBL7296276 0.80 BCHE (0.50) DNM1BCHEALDH1A1KDM4E
SCHEMBL21740355 0.79 DNM1 (0.61) DNM1BCHECHRM2MEN1KMT2A
SCHEMBL27614960 0.78 DNM1 (0.60) DNM1BCHECHRM2MEN1KMT2A
SCHEMBL27646012 0.77 DNM1 (0.58) DNM1BCHECHRM2MEN1KMT2A
SCHEMBL1134127 0.74 CHRM2 (0.74) BCHECHRM2MEN1KMT2AHDAC1
SCHEMBL13073851 0.74 BCHE (0.64) DNM1BCHECHRM2MEN1KMT2A

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 7 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
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed