SCHEMBL7765119

SCHEMBL7765119

CCC(=O)N(c1ccc(C(=O)OC)cc1)C1CCCCC1NCC(CCc1ccccc1)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.41
OPRD1 P41143 4/20 0.41
OPRK1 P41145 3/20 0.41
SLC22A1 O15245 1/20 0.38
NR1I2 O75469 1/20 0.38
ABCB1 P08183 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
MAOA P21397 1/20 0.38
DRD4 P21917 1/20 0.38
MAOB P27338 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL7765121 0.76 RAB9A (0.45) KDM4EALDH1A1MAPT
SCHEMBL7761478 0.68 MAPT (0.42) ALDH1A1MAPT
SCHEMBL7763658 0.67 MMP2 (0.47) ALDH1A1MAPT
SCHEMBL11334004 0.66 ALDH1A1 (0.48) OPRD1CHRM3SIGMAR1KDM4EALDH1A1
SCHEMBL11595054 0.65 KDM4E (0.47) OPRM1OPRD1CHRM3KDM4EALDH1A1
Ethylbenzene SCHEMBL11334211 0.64 L3MBTL1 (0.41) OPRM1OPRD1OPRK1CHRM3SIGMAR1
Ethylbenzene SCHEMBL11595377 0.62 L3MBTL1 (0.39) OPRM1OPRD1OPRK1CHRM3SIGMAR1
SCHEMBL11341610 0.62 KDM4E (0.50) OPRM1OPRD1OPRK1SIGMAR1KDM4E
SCHEMBL7195674 0.62 MMP12 (0.50)
SCHEMBL1928912 0.62 TSHR (0.67) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed