SCHEMBL6649656

SCHEMBL6649656

O=c1ccc2cc(OCC(O)CNCc3cccc(Cl)c3)ccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
KCNH2 Q12809 1/20 0.52
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
DNM1 Q05193 1/20 0.42
KDM1A O60341 1/20 0.42
LMNA P02545 1/20 0.42
F11 P03951 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
CASR P41180 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
ADRB2 P07550 1/20 0.40

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
SCHEMBL7329857 0.89 KCNH2 (0.59) MEN1KMT2AKCNH2MAPTMAPK1
SCHEMBL7329175 0.88 KCNH2 (0.45) MEN1KMT2AKCNH2MAPTMAPK1
Hydrochloric Acid SCHEMBL7326676 0.88 KCNH2 (0.58) MEN1KMT2AKCNH2MAPTMAPK1
Hydrochloric Acid SCHEMBL6653630 0.88 KCNH2 (0.58) MEN1KMT2AKCNH2MAPTMAPK1
Hydrochloric Acid SCHEMBL7377592 0.88 KCNH2 (0.58) MEN1KMT2AKCNH2MAPTMAPK1
SCHEMBL7322923 0.87 TP53 (0.47) MEN1KMT2AKCNH2MAPTMAPK1
SCHEMBL7375804 0.87 KDM4E (0.47) MEN1KMT2AKCNH2ADRB1ADRB3
SCHEMBL7329866 0.87 KDM4E (0.47) MEN1KMT2AKCNH2ADRB1ADRB3
SCHEMBL6650940 0.87 KDM4E (0.47) MEN1KMT2AKCNH2ADRB1ADRB3
Hydrochloric Acid SCHEMBL6650330 0.87 KDM4E (0.47) MEN1KMT2AKCNH2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647447-B1 Carbostyril derivatives as phosphodiesterase inhibitors OTSUKA PHARMA CO LTD (JP) 2004-05-26 EP disclosed
US-5532253-A ENZYME INHIBITORS AS ANTICOAGULANTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-07-02 US disclosed
EP-0531548-B1 Carbostyril derivatives as anti-thrombotic agents OTSUKA PHARMA CO LTD (JP) 1995-09-27 EP disclosed
EP-0647447-A1 Carbostyril derivatives as phosphodiesterase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-04-12 EP disclosed
US-5401754-A Agent for treating thrombosis and phosphodiesterase inhibitor OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-03-28 US disclosed
US-5385914-A Cardiotonic carbostyril agents for treating heart ailments OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0355583-B1 Cardiotonics OTSUKA PHARMA CO LTD (JP) 1995-01-25 EP disclosed
US-5266577-A Method of treating congestive heart failure using carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY LTD. (JP) 1993-11-30 US disclosed
US-5198448-A Cardiovascular disorders OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1993-03-30 US disclosed
EP-0531548-A1 Carbostyril derivatives as anti-thrombotic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-17 EP disclosed
US-5053514-A Side effect reduction; carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed
EP-0355583-A2 Cardiotonics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed