SCHEMBL7954887

SCHEMBL7954887

CCOCCn1c(C2(O)CCN(C(=O)OC(C)(C)C)CC2)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
HRH1 P35367 6/20 0.46
CCR5 P51681 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL992547 0.81 HRH1 (0.66) KDM4EHRH1ALDH1A1
SCHEMBL7958499 0.79 KDM4E (0.52) KDM4EHRH1ALDH1A1MEN1TSHR
SCHEMBL9260913 0.79 HRH1 (0.51) KDM4EHRH1
SCHEMBL742529 0.77 CNR2 (0.40) KDM4ECCR5ALDH1A1TSHRHSD17B10
SCHEMBL6619420 0.72 BACE1 (0.49) TSHR
SCHEMBL3491256 0.72 CCR5 (0.44) CCR5TSHR
SCHEMBL3489753 0.71 CCR5 (0.43) CCR5TSHR
SCHEMBL19924890 0.70 HRH1 (0.74) KDM4EHRH1
SCHEMBL7629372 0.70 ALDH1A1 (0.52) ALDH1A1
SCHEMBL7203937 0.70 CYP11B2 (0.46) CCR5MEN1TSHRKMT2A

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-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP 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