SCHEMBL8500022

SCHEMBL8500022

COc1ccc(C(=O)N2CCN(c3ccc4[nH]c(=O)ccc4c3)CC2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.65
PDE3A Q14432 2/20 0.65
NR3C1 P04150 1/20 0.59
PGR P06401 1/20 0.59
SLC6A4 P31645 1/20 0.59
KCNH2 Q12809 1/20 0.59
LMNA P02545 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
GAA P10253 2/20 0.59
HTT P42858 1/20 0.59
MAPT P10636 2/20 0.53
ATM Q13315 1/20 0.53
NAMPT P43490 1/20 0.51
ALDH1A1 P00352 3/20 0.50
POLB P06746 2/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 2/20 0.49
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL11201118 0.90 PDE3B (0.55) PDE3BPDE3ANR3C1PGRSLC6A4
SCHEMBL11197233 0.87 POLB (0.59) PDE3BPDE3ALMNASMN1; SMN2GAA
SCHEMBL11197979 0.84 LMNA (0.48) PDE3BPDE3ANR3C1PGRSLC6A4
SCHEMBL11200140 0.81 MGLL (0.58) KCNH2LMNASMN1; SMN2HTTMAPT
SCHEMBL11201259 0.81 PDE3B (0.47) PDE3BPDE3ALMNAGAAHTT
SCHEMBL11196441 0.81 PDE3B (0.60) PDE3BPDE3ALMNAGAAHTT
SCHEMBL7034123 0.80 PDE3B (0.66) PDE3BPDE3ANR3C1PGRSLC6A4
SCHEMBL9403786 0.80 PDE3B (0.58) PDE3BPDE3ANR3C1PGRSLC6A4
SCHEMBL11200241 0.79 ALDH1A1 (0.61) LMNASMN1; SMN2GAAHTTMAPT
SCHEMBL11193805 0.79 SMN1; SMN2 (0.57) PDE3BPDE3ALMNASMN1; SMN2HTT

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-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US claimed
EP-0552373-B1 APOPTOSIS REGULATOR OTSUKA PHARMA CO LTD (JP) 1999-10-13 EP disclosed
US-5658912-A 6-(4-(3,4-DIMETHOXYBENZOYL)-1-PIPERAZINYL)CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-19 US disclosed
US-5543412-A ADMINISTERING A BENZOYL PIPERAZIN QUINOLINS VIRICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-08-06 US disclosed
EP-0552373-A1 APOPTOSIS REGULATOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-28 EP disclosed
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US disclosed