SCHEMBL7471630

SCHEMBL7471630

CC(C)(C)OC(=O)N1CCC(C(=O)c2nc3ccccc3n2Cc2ccc(CO)o2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.44
TACR2 P21452 1/20 0.44
TACR1 P25103 1/20 0.44
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
STS P08842 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
MMP7 P09237 3/20 0.40
MMP12 P39900 3/20 0.40
MMP3 P08254 2/20 0.40
MMP10 P09238 2/20 0.40
MMP8 P22894 2/20 0.40

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
SCHEMBL7468735 0.89 HRH1 (0.41) HRH1TACR2TACR1NOD2NOD1
SCHEMBL7465460 0.87 HRH1 (0.51) HRH1TACR2TACR1NOD2NOD1
SCHEMBL9697550 0.86 HRH1 (0.43) HRH1TACR2TACR1NOD2NOD1
SCHEMBL7899281 0.85 HRH1 (0.54) HRH1TACR2TACR1NOD2NOD1
SCHEMBL7475435 0.82 HRH1 (0.51) HRH1TACR2TACR1NOD2NOD1
SCHEMBL7958395 0.82 HRH1 (0.64) HRH1TACR2TACR1STSGAA
SCHEMBL13317058 0.81 KDM4E (0.54) HRH1TACR2TACR1NOD2NOD1
SCHEMBL7465508 0.80 HRH1 (0.41) HRH1TACR2TACR1SMN1; SMN2MAPT
SCHEMBL7479016 0.80 NOD2 (0.45) HRH1TACR2TACR1NOD2NOD1
SCHEMBL7479020 0.80 NOD2 (0.43) HRH1TACR2TACR1NOD2NOD1

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 5 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-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-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