SCHEMBL9689641

SCHEMBL9689641

CNCCN1C(=O)CC(C)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
SLC6A2 P23975 5/20 0.39
HTR2A P28223 3/20 0.39
HRH1 P35367 3/20 0.39
CYP3A4 P08684 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
HTR2C P28335 2/20 0.39
SLC6A4 P31645 2/20 0.39
ADRA1A P35348 2/20 0.39
HTR2B P41595 2/20 0.39
KCNH2 Q12809 2/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
SLC22A3 O75751 1/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL20335486 0.84 ALDH1A1 (0.48) OPRK1OPRM1OPRL1CYP3A4CYP1A2
SCHEMBL6264071 0.82 OPRM1 (0.44) OPRK1OPRM1OPRL1ADRA1ACHRM2
SCHEMBL6746146 0.75 OPRM1 (0.50) OPRK1OPRM1OPRL1SLC6A2HTR2A
SCHEMBL10028023 0.75 CARM1 (0.36) MAPK1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL31469975 0.75 OPRM1 (0.50) OPRK1OPRM1OPRL1SLC6A2HTR2A
SCHEMBL9690444 0.72 CHRM2 (0.65) OPRK1SLC6A2HTR2AHRH1CYP3A4
SCHEMBL28230741 0.70 OPRM1 (0.49) OPRK1OPRM1OPRL1MEN1KMT2A
SCHEMBL13150789 0.69 C5AR1 (0.48) KMT2ANPSR1
SCHEMBL15944143 0.66 SLC6A2 (0.38) OPRK1SLC6A2HTR2AHRH1CYP3A4
SCHEMBL22692403 0.66 ALDH1A1 (0.42) OPRK1OPRM1OPRL1CYP3A4ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114952-A Side effect reduction PFIZER INC. (US) 1992-05-19 US disclosed
US-4990509-A Sulfonamide anti-arrhythmic agents PFIZER INC. (US) 1991-02-05 US disclosed
US-4863948-A Isoindolinone sulfonamide anti-arrhythmic agents PFIZER, INC. (US) 1989-09-05 US disclosed
EP-0242173-A1 Antiarrhythmic agents Pfizer Limited (GB) 1987-10-21 EP disclosed