SCHEMBL10349147

SCHEMBL10349147

O=C(Nc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)c1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
ABL1 P00519 1/20 0.45
JAK2 O60674 2/20 0.45
JAK1 P23458 2/20 0.45
TYK2 P29597 2/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 2/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
ACKR3 P25106 1/20 0.44
METAP2 P50579 1/20 0.44
APP P05067 1/20 0.43
BACE1 P56817 1/20 0.43
FAAH O00519 1/20 0.43

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
SCHEMBL10349077 0.86 HPGD (0.55) SMN1; SMN2KDM4EALDH1A1ABL1GAA
SCHEMBL10349138 0.85 ACKR3 (0.48) TRPV1POLBACKR3
SCHEMBL10929906 0.83 RAB9A (0.58) TRPV1SMN1; SMN2ALDH1A1GAAHTT
SCHEMBL10928865 0.81 MCHR1 (0.57) SMN1; SMN2KDM4EALDH1A1POLBCYP3A4
SCHEMBL5388983 0.81 TRPV1 (0.55) TRPV1SMN1; SMN2GAAHTTRAB9A
SCHEMBL10927769 0.81 KMT2A (0.58) SMN1; SMN2ALDH1A1ABL1JAK2JAK1
SCHEMBL9764719 0.80 TRPV1 (0.56) TRPV1SMN1; SMN2GAAHTTRAB9A
SCHEMBL10348891 0.79 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1GAARAB9A
SCHEMBL10930580 0.78 KCNK3 (0.53) TRPV1KDM4EALDH1A1POLBGAA
SCHEMBL10349135 0.77 DHODH (0.55) SMN1; SMN2KDM4EALDH1A1POLBTYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0113778-B1 ARYL SUBSTITUTED AMINOMETHYL BENZENE DERIVATIVES USEFUL AS ANTIARRHYTHMIC AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-09 EP claimed
EP-0113778-A4 ARYL SUBSTITUTED AMINOMETHYL BENZENE DERIVATIVES USEFUL AS ANTIARRHYTHMIC AGENTS. AMERICAN HOSPITAL SUPPLY CORP (US) 1985-06-06 EP claimed
EP-0113778-A1 ARYL SUBSTITUTED AMINOMETHYL BENZENE DERIVATIVES USEFUL AS ANTIARRHYTHMIC AGENTS. AMERICAN HOSPITAL SUPPLY CORP (US) 1984-07-25 EP claimed
WO-1984000545-A1 ARYL SUBSTITUTED AMINOMETHYL BENZENE DERIVATIVES USEFUL AS ANTIARRHYTHMIC AGENTS AMERICAN HOSPITAL SUPPLY CORP (US) 1984-02-16 WO claimed
EP-0113778-B1 ARYL SUBSTITUTED AMINOMETHYL BENZENE DERIVATIVES USEFUL AS ANTIARRHYTHMIC AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-09 EP disclosed
EP-0113778-A4 ARYL SUBSTITUTED AMINOMETHYL BENZENE DERIVATIVES USEFUL AS ANTIARRHYTHMIC AGENTS. AMERICAN HOSPITAL SUPPLY CORP (US) 1985-06-06 EP disclosed
EP-0113778-A1 ARYL SUBSTITUTED AMINOMETHYL BENZENE DERIVATIVES USEFUL AS ANTIARRHYTHMIC AGENTS. AMERICAN HOSPITAL SUPPLY CORP (US) 1984-07-25 EP disclosed
WO-1984000545-A1 ARYL SUBSTITUTED AMINOMETHYL BENZENE DERIVATIVES USEFUL AS ANTIARRHYTHMIC AGENTS AMERICAN HOSPITAL SUPPLY CORP (US) 1984-02-16 WO disclosed