SCHEMBL9764649

SCHEMBL9764649

O=C(c1ccccc1)c1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
HIF1A Q16665 1/20 0.49
CACNA1B Q00975 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
STAT1 P42224 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL12742689 0.81 CYP2D6 (0.46) CYP2D6CYP2C9HIF1ACACNA1BALDH1A1
SCHEMBL9764698 0.80 TRPV1 (0.60) HIF1AALDH1A1NPC1LMNAHPGD
SCHEMBL5388983 0.80 TRPV1 (0.55) HIF1ACACNA1BNPC1LMNATP53
Hydrochloric Acid SCHEMBL31691170 0.79 TRPV1 (0.61) HIF1AALDH1A1LMNARAB9AKMT2A
SCHEMBL9764719 0.79 TRPV1 (0.56) CACNA1BNPC1TP53MAPTTSHR
SCHEMBL5909659 0.78 ALDH1A1 (0.56) LTA4HCYP2D6CYP2C9HIF1AALDH1A1
SCHEMBL9764647 0.78 MCHR1 (0.45) CYP2D6CYP2C9HIF1ACACNA1BCYP3A4
SCHEMBL9764759 0.78 CACNA1B (0.57) CYP2D6CYP2C9HIF1ACACNA1BALDH1A1
SCHEMBL3276896 0.78 CASP1 (0.64) LTA4HCYP2D6CYP2C9HIF1ACYP2C19
SCHEMBL10556514 0.77 CYP2C9 (0.56) CYP2D6CYP2C9HIF1ACYP3A4CYP2C19

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 13 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
US-5059620-A Antiarrhythmia agents THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-10-22 US disclosed
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
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