SCHEMBL11246085

SCHEMBL11246085

CN1CCC(OC(=O)O)(c2ccccc2Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
ADAM17 P78536 1/20 0.43
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
CCR8 P51685 1/20 0.40
KCNH2 Q12809 1/20 0.40
RECQL P46063 1/20 0.38
LIPE Q05469 1/20 0.38
OPRM1 P35372 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
OPRL1 P41146 1/20 0.38
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL11255005 0.89 SCN1A (0.41) SCN1ASCN2ASCN3ARECQLOPRM1
SCHEMBL11246081 0.83 MMP1 (0.45) MMP1MMP9MMP13ADAM17SCN1A
SCHEMBL11243000 0.80 USP2 (0.43) MMP9CCR8KCNH2KMT2AMAPT
SCHEMBL11258118 0.78 SLC6A9 (0.43) OPRM1SLC6A4MAPTALDH1A1LMNA
SCHEMBL11241295 0.78 USP2 (0.40) MMP9SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL7510098 0.75 MMP9 (0.54) MMP1MMP9MMP13ADAM17SCN1A
SCHEMBL11245572 0.75 OPRM1 (0.56) MMP1MMP9MMP13ADAM17OPRM1
SCHEMBL11248097 0.74 SLC6A2 (0.41) KCNH2OPRM1SIGMAR1SLC6A2SLC6A4
Bromide SCHEMBL11249246 0.73 SLC6A2 (0.40) KCNH2OPRM1SIGMAR1SLC6A2SLC6A4
SCHEMBL11468367 0.73 SCN1A (0.48) SCN1ASCN2ASCN3AKCNH2RECQL

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-0016261-B1 SPIRO(DIBENZ(B,F)OXEPIN-PIPERIDINES) AND METHODS OF PREPARING SAME HOECHST AKTIENGESELLSCHAFT (DE) 1982-12-29 EP disclosed
EP-0016261-A1 Spiro(dibenz(b,f)oxepin-piperidines) and methods of preparing same HOECHST AKTIENGESELLSCHAFT (DE) 1980-10-01 EP disclosed