SCHEMBL9764719

SCHEMBL9764719

O=C(Nc1cc(CN2CCCCC2)c(O)c(CN2CCCCC2)c1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.56
CACNA1B Q00975 2/20 0.55
MAPK1 P28482 1/20 0.54
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 2/20 0.52
HTT P42858 1/20 0.52
MCHR1 Q99705 1/20 0.51
ACKR3 P25106 1/20 0.50
TSHR P16473 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
SCHEMBL5388983 0.99 TRPV1 (0.55) TRPV1CACNA1BMAPK1RAB9ANPC1
SCHEMBL9764698 0.88 TRPV1 (0.60) TRPV1RAB9ANPC1GAAHTT
SCHEMBL9764606 0.87 HIF1A (0.64) MAPK1RAB9ANPC1TP53MAPT
Hydrochloric Acid SCHEMBL31691170 0.87 TRPV1 (0.61) TRPV1RAB9AGAAHTT
SCHEMBL10928865 0.86 MCHR1 (0.57) MAPK1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL9764761 0.86 ACHE (0.49) TRPV1MAPTPKMMCHR1
SCHEMBL5610627 0.86 CACNA1B (0.63) TRPV1CACNA1BMAPK1RAB9ANPC1
SCHEMBL10349181 0.86 MCHR1 (0.57) TRPV1MAPK1RAB9ANPC1MAPT
SCHEMBL10929906 0.85 RAB9A (0.58) TRPV1RAB9ANPC1TP53MAPT
SCHEMBL10930580 0.85 KCNK3 (0.53) TRPV1RAB9ANPC1TP53MAPT

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
US-5059620-A Antiarrhythmia agents THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-10-22 US disclosed
US-4923873-A ANTIARRHYTHMIA AGENTS; SIDE EFFECT REDUCTION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-08 US disclosed
US-4755527-A Aryl substituted aminomethyl benzene derivatives E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-07-05 US disclosed
US-4748184-A Aryl substituted aminomethyl benzene derivatives having antiarrhythmic utility E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-05-31 US disclosed
US-4562201-A ANTIARRHYTHMIA AGNETS AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1985-12-31 US 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