SCHEMBL2642364

SCHEMBL2642364

c1ccc(C2(c3ccccc3)CCOO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRM1 P35372 2/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
PNMT P11086 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
DPP4 P27487 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
HTR2A P28223 1/20 0.33
AKR1C1 Q04828 1/20 0.33

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
SCHEMBL22123806 0.87 DPP4 (0.35) OPRM1OPRK1OPRL1PNMTMAOA
SCHEMBL2360103 0.73 OPRM1 (0.41) MEN1CYP2C9KMT2AOPRM1OPRK1
SCHEMBL31279992 0.73 GRIN1 (0.40) OPRM1OPRK1OPRL1PNMTMAOA
SCHEMBL27728282 0.71 CYP1A2 (0.38) MEN1CYP2C9KMT2AOPRM1OPRK1
SCHEMBL9723553 0.70 OPRM1 (0.42) MEN1CYP2C9KMT2AOPRM1OPRK1
SCHEMBL8016354 0.70 ALDH1A1 (0.36) CYP2C9OPRM1OPRK1OPRL1PNMT
SCHEMBL1569110 0.68 DPP4 (0.38) OPRM1OPRK1OPRL1PNMTMAOA
SCHEMBL1322736 0.67 CHRM2 (0.46) OPRM1OPRK1OPRL1GRIN1GRIN2A
SCHEMBL28061487 0.67 HSD11B1 (0.38) OPRM1OPRK1OPRL1DPP4
SCHEMBL27514264 0.67 MAOB (0.35) MEN1CYP2C9KMT2AOPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0875247-B1 Method for controlling the plasma level of lipoproteins TNO (NL) 2003-05-28 EP claimed
EP-0875247-A1 Method for controlling the plasma level of lipoproteins NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 1998-11-04 EP claimed
EP-1501815-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-02 EP disclosed
WO-2003095438-A9 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-12-23 WO disclosed
WO-2003095438-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 WO disclosed
EP-0875247-B1 Method for controlling the plasma level of lipoproteins TNO (NL) 2003-05-28 EP disclosed
US-6444664-B1 ANTAGONIST OF PLATELET ACTIVATING FACTOR; BENZO- OR THIENOTRIAZOLO-DIAZEPINE OR BENZODIAZEPINE DERIVATIVE NEDERLANDSE ORGANISATIE VOOR TOEGEPAST - NATUURWETEN SCHAPPELIJK ONDERZOEK (TNO) (NL) 2002-09-03 US disclosed
US-6444664-B1 ANTAGONIST OF PLATELET ACTIVATING FACTOR; BENZO- OR THIENOTRIAZOLO-DIAZEPINE OR BENZODIAZEPINE DERIVATIVE NEDERLANDSE ORGANISATIE VOOR TOEGEPAST - NATUURWETEN SCHAPPELIJK ONDERZOEK (TNO) (NL) 2002-09-03 US disclosed
EP-0875247-A1 Method for controlling the plasma level of lipoproteins NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 1998-11-04 EP disclosed
EP-0875247-A1 Method for controlling the plasma level of lipoproteins NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 1998-11-04 EP disclosed