SCHEMBL8440805

SCHEMBL8440805

CCN(CC)CCCNC(=O)c1cc(C(=O)OC)cc(-c2cc(Cl)sc2Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.42
HTT P42858 2/20 0.42
TSHR P16473 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NSD2 O96028 1/20 0.39
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL8440267 0.94 TMEM97 (0.43) MAPK1TSHRALDH1A1LMNAPOLB
SCHEMBL8439277 0.90 PDE4B (0.43) MAPK1HTTALDH1A1MAPTPOLB
SCHEMBL8440765 0.85 MAPK1 (0.45) MAPK1ALDH1A1LMNAKDM4EHPGD
SCHEMBL8664616 0.82 MAPK1 (0.47) MAPK1HTTTSHRPRMT5WDR77
Hydrochloric Acid SCHEMBL8817606 0.82 HRH3 (0.40) KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8444315 0.80 CA12 (0.42) HTTALDH1A1MAPTLMNAPOLB
Hydrochloric Acid SCHEMBL8440407 0.77 SMN1; SMN2 (0.52) ALDH1A1LMNAPOLBNPSR1HSD17B10
Hydrochloric Acid SCHEMBL8440293 0.76 APP (0.53) ALDH1A1LMNAPOLBNPSR1HSD17B10
SCHEMBL8440888 0.75 LMNA (0.53) TSHRALDH1A1LMNAPOLBKDM4E
SCHEMBL7995581 0.75 MCHR1 (0.46) MAPK1TSHRALDH1A1LMNAPOLB

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
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed