SCHEMBL7791849

SCHEMBL7791849

N=C(N)NC(=O)c1cc(C(F)(F)F)c(OCc2ccccc2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.44
LRRK2 Q5S007 1/20 0.44
NPC1 O15118 3/20 0.42
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
RAB9A P51151 2/20 0.41
SGMS2 Q8NHU3 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM3 P20309 1/20 0.40
CLCN2 P51788 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL7799879 0.86 RXRA (0.44) MRGPRX4LRRK2NPC1RXRARXRB
SCHEMBL7953912 0.81 MRGPRX4 (0.56) MRGPRX4LRRK2NPC1RXRARXRB
SCHEMBL7791856 0.81 MRGPRX4 (0.48) MRGPRX4LRRK2NPC1RXRARXRB
SCHEMBL8428710 0.79 MAPT (0.40) LRRK2NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL8335173 0.78 MAPT (0.40) LRRK2NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL7801900 0.77 KDM4E (0.38) RAB9AMEN1KMT2ASMN1; SMN2CLCN2
SCHEMBL11242220 0.74 S1PR1 (0.61) MRGPRX4LRRK2NPC1RAB9AMEN1
SCHEMBL16586292 0.74 RXRA (0.57) MRGPRX4RXRARXRBRXRGL3MBTL1
SCHEMBL7797854 0.74 TMPRSS4 (0.41) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL8070202 0.73 SCN9A (0.39) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0794172-B1 Orthosubstituted benzoylguanidines HOECHST AG (DE) 2001-10-24 EP disclosed
CN-1071318-C Ortho-substd. benzoyl guanidines, their preparing process and use as medicine and diagnostic reagent, and medicine contg. same HOECHST AG (DE) 2001-09-19 CN disclosed
US-6262123-B1 AS ANTIARRHYTHMIC AGENTS HAVING CARDIOPROTECTIVE COMPONENT, FOR PROPHYLAXIS AND TREATMENT OF INFARCTION AND ANGINA PECTORIS; FOR INHIBITION OF PATHOPHYSIOLOGICAL PROCESSES ASSOCIATED WITH GENESIS OF ISCHEMICALLY INDUCED DAMAGE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-07-17 US disclosed
CN-1160042-A Ortho-substd. benzoyl guanidines, their preparing process and use as medicine and diagnostic reagent, and medicine contg. same HOECHST AG (DE) 1997-09-24 CN disclosed
EP-0794172-A1 Orthosubstituted benzoylguanidines, process for their preparation, their use as a medicament or diagnostic agent and a medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-10 EP disclosed