SCHEMBL7477117

SCHEMBL7477117

C=CCOCCn1c(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
HRH1 P35367 8/20 0.42
STS P08842 2/20 0.42
TACR2 P21452 1/20 0.41
TACR1 P25103 1/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OGFRL1 Q5TC84 2/20 0.41
CCR5 P51681 1/20 0.40
GPR119 Q8TDV5 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL9260913 0.89 HRH1 (0.51) NOD2NOD1HRH1STS
SCHEMBL7473405 0.87 HRH1 (0.44) NOD2NOD1HRH1STSTACR2
SCHEMBL13317058 0.84 KDM4E (0.54) NOD2NOD1HRH1STSTACR2
SCHEMBL7473715 0.83 HRH1 (0.55) NOD2NOD1HRH1STSTACR2
SCHEMBL7473747 0.82 HRH1 (0.41) HRH1TACR2TACR1
SCHEMBL7899281 0.81 HRH1 (0.54) NOD2NOD1HRH1STSTACR2
SCHEMBL7479016 0.81 NOD2 (0.45) NOD2NOD1HRH1STSTACR2
SCHEMBL9266382 0.80 NOD2 (0.43) NOD2NOD1HRH1STSTACR2
SCHEMBL9258336 0.79 NOD2 (0.42) NOD2NOD1HRH1STSTACR2
SCHEMBL7475435 0.78 HRH1 (0.51) NOD2NOD1HRH1STSTACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882038-B1 SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2002-12-18 EP disclosed
US-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
US-6297259-B1 HISTAMINE RECEPTOR ANTAGONISTS AND TACHYKININ RECEPTOR ANTAGONISTS. AVENTIS PHARMACEUTICALS INC. 2001-10-02 US disclosed
US-5998439-A RESPIRATORY SYSTEM DISORDERS Hoescht Marion Roussel, Inc. (US) 1999-12-07 US disclosed
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP disclosed
EP-0882038-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1998-12-09 EP disclosed
WO-1997030990-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed
EP-0777666-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1997-06-11 EP disclosed
WO-1996006094-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1996-02-29 WO disclosed