SCHEMBL7329175

SCHEMBL7329175

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
NPC1 O15118 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM1A O60341 1/20 0.42
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 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
SCHEMBL7331220 0.89 NPC1 (0.57) KCNH2NPC1MEN1KMT2AKDM1A
SCHEMBL7323164 0.89 NPC1 (0.57) KCNH2NPC1MEN1KMT2AKDM1A
SCHEMBL7329019 0.89 NPC1 (0.57) KCNH2NPC1MEN1KMT2AKDM1A
SCHEMBL6649656 0.88 MEN1 (0.57) KCNH2MEN1KMT2AKDM1AMAPT
SCHEMBL7375804 0.87 KDM4E (0.47) KCNH2MEN1KMT2AKDM1APDE3B
SCHEMBL7329866 0.87 KDM4E (0.47) KCNH2MEN1KMT2AKDM1APDE3B
SCHEMBL6650940 0.87 KDM4E (0.47) KCNH2MEN1KMT2AKDM1APDE3B
SCHEMBL7322923 0.87 TP53 (0.47) KCNH2MEN1KMT2AKDM1AMAPT
Hydrochloric Acid SCHEMBL7372909 0.87 TP53 (0.46) KCNH2MEN1KMT2AKDM1AMAPT
Hydrochloric Acid SCHEMBL6650330 0.87 KDM4E (0.47) KCNH2MEN1KMT2AKDM1AADRB2

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-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
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