SCHEMBL7954954

SCHEMBL7954954

CC(C)Oc1cccc(CC(=O)N2CCCCC2CCS(C)(=O)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.42
TACR1 P25103 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
OPRD1 P41143 1/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
DRD4 P21917 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MEN1 O00255 1/20 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
SCHEMBL8302191 0.80 POLB (0.51) KDM4ENPC1MEN1GAAHTT
SCHEMBL8807008 0.77 MEN1 (0.42) TACR1KDM4ECYP3A4CYP2C9SIGMAR1
SCHEMBL8806880 0.68 TACR1 (0.44) TACR1KDM4ESLC6A3MEN1KMT2A
SCHEMBL14557753 0.66 CHRNB4 (0.45) KDM4ENPC1
SCHEMBL1416873 0.65 POLB (0.67) KDM4ENPC1MEN1GAAHTT
SCHEMBL5743613 0.65 FFAR4 (0.51) KDM4ECYP1A2CYP2C19
SCHEMBL29790470 0.64 PPARA (0.54) TACR1
SCHEMBL13570735 0.64 SPHK1 (0.53) OPRK1TDP1SIGMAR1MEN1KMT2A
SCHEMBL14569574 0.64 CHRNB4 (0.47) NPC1
SCHEMBL7956017 0.64 P2RX3 (0.48) KDM4ENPC1MEN1GAAHTT

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
US-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
CN-1067385-C Novel substituted piperidines useful for the treatment of allergic diseases MERRELL DOW PHARMA (US) 2001-06-20 CN disclosed
CN-1158612-A Novel substituted piperidines for the treatment of allergic diseases MERRELL DOW PHARMA (US) 1997-09-03 CN 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