SCHEMBL6932255

SCHEMBL6932255

[c]1cccc(OC2(c3ccccc3)CCNCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.42
HTR2A P28223 1/20 0.37
TACR1 P25103 9/20 0.35
AKT2 P31751 1/20 0.33
HRH1 P35367 1/20 0.33
TSHR P16473 1/20 0.31
USP2 O75604 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A4 P31645 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL11150638 0.84 OPRM1 (0.53) OPRM1HTR2ATACR1AKT2HRH1
SCHEMBL6928751 0.72 OPRM1 (0.40) OPRM1HTR2ATACR1
SCHEMBL10605630 0.71 DRD3 (0.37) OPRM1SLC6A4
SCHEMBL7342703 0.71 TACR1 (0.52) OPRM1TACR1SLC6A4KCNH2
SCHEMBL10515881 0.70 TACR1 (0.52) TACR1SLC6A4KCNH2
SCHEMBL6932312 0.70 OPRM1 (0.42) OPRM1TACR1
SCHEMBL10424968 0.69 OPRM1 (0.47) OPRM1HTR2ATACR1AKT2TSHR
SCHEMBL613551 0.69 OPRM1 (0.55) OPRM1HTR2ATACR1AKT2TSHR
SCHEMBL10514596 0.69 ALDH1A1 (0.41) OPRM1
SCHEMBL8166976 0.69 OPRM1 (0.55) OPRM1HTR2ATACR1AKT2TSHR

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-1366066-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
WO-2002072621-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-19 WO disclosed