SCHEMBL7329019

SCHEMBL7329019

O=c1ccc2cc(OC[C@@H](O)CNCc3ccc(F)cc3)ccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
KCNH2 Q12809 1/20 0.47
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARG P37231 1/20 0.42
ADRB2 P07550 3/20 0.42
ADRB1 P08588 3/20 0.42
ADRB3 P13945 3/20 0.42
KDM1A O60341 1/20 0.42

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 1.00 NPC1 (0.57) NPC1MEN1KMT2AKCNH2MAPT
SCHEMBL7323164 1.00 NPC1 (0.57) NPC1MEN1KMT2AKCNH2MAPT
SCHEMBL7329857 0.90 KCNH2 (0.59) NPC1MEN1KMT2AKCNH2MAPT
SCHEMBL7330564 0.90 KMT2A (0.51) NPC1MEN1KMT2AKCNH2TP53
SCHEMBL7327468 0.90 NPC1 (0.57) NPC1MEN1KMT2AKCNH2MAPT
SCHEMBL7329175 0.89 KCNH2 (0.45) NPC1MEN1KMT2AKCNH2MAPT
Hydrochloric Acid SCHEMBL7377592 0.89 KCNH2 (0.58) NPC1MEN1KMT2AKCNH2MAPT
Hydrochloric Acid SCHEMBL7326676 0.89 KCNH2 (0.58) NPC1MEN1KMT2AKCNH2MAPT
Hydrochloric Acid SCHEMBL7379169 0.89 KMT2A (0.50) NPC1MEN1KMT2AKCNH2HTT
Hydrochloric Acid SCHEMBL6649070 0.89 KMT2A (0.50) NPC1MEN1KMT2AKCNH2HTT

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