SCHEMBL8299754

SCHEMBL8299754

CCOC(=O)C1CCN(CC(=O)Nc2ccc(Cl)cc2C(=O)NCc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.53
MCHR1 Q99705 4/20 0.51
MAPT P10636 3/20 0.48
TP53 P04637 1/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 1/20 0.47
POLB P06746 3/20 0.47
GAA P10253 1/20 0.47
KCNH2 Q12809 1/20 0.46

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
SCHEMBL8297193 0.89 POLB (0.58) F10MCHR1MAPTTP53KDM4E
SCHEMBL8291728 0.87 HPGD (0.49) MCHR1KDM4ELMNAHPGDTSHR
SCHEMBL8299700 0.87 MCHR1 (0.54) F10MCHR1MAPTTP53KDM4E
SCHEMBL8301481 0.84 SMN1; SMN2 (0.55) MCHR1MAPTTP53HPGDTSHR
SCHEMBL8299253 0.84 ALDH1A1 (0.53) MCHR1MAPTTP53KDM4ELMNA
SCHEMBL8292060 0.83 KMT2A (0.52) MCHR1MAPTTP53KDM4ELMNA
SCHEMBL8297286 0.81 HPGD (0.50) MAPTTP53KDM4ELMNAHPGD
SCHEMBL8301263 0.80 POLB (0.50) MAPTKDM4ELMNAHPGDTSHR
SCHEMBL8570087 0.80 GAA (0.57) MCHR1KDM4ELMNAHPGDTSHR
SCHEMBL8293878 0.78 SMN1; SMN2 (0.50) MCHR1MAPTTP53KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686625-B1 ANTHRANILIC ACID DERIVATIVE EISAI CO LTD (JP) 1999-05-26 EP disclosed
US-5716993-A PHOSPHODIESTERASE ENZYME INHIBITOR FOR TREATING CARDIOVASCULAR DISORDER, ANGINA PECTORIS, HYPERTENSION, ASTHMA EISAI CO., LTD. (JP) 1998-02-10 US disclosed
EP-0686625-A1 ANTHRANILIC ACID DERIVATIVE Eisai Co., Ltd. (JP) 1995-12-13 EP disclosed