SCHEMBL11316484

SCHEMBL11316484

O=C1c2ccccc2Oc2ccccc2C12CCN(CCO)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.40
HRH1 P35367 2/20 0.40
OPRM1 P35372 3/20 0.39
OPRL1 P41146 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
CCR1 P32246 1/20 0.37
SIGMAR1 Q99720 5/20 0.37
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
GSK3B P49841 1/20 0.35
OPRK1 P41145 1/20 0.35

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
Bromide SCHEMBL11488069 0.99 HTR2A (0.39) HTR2AHRH1OPRM1OPRL1MAPT
Bromide SCHEMBL11318175 0.87 HTR2A (0.54) HTR2AHRH1OPRM1MAPTNPSR1
Bromide SCHEMBL11476443 0.84 SIGMAR1 (0.53) HTR2AOPRM1MAPTLMNASIGMAR1
SCHEMBL11258495 0.83 SETD7 (0.47) HTR2AHRH1OPRM1SIGMAR1HTR2C
Bromide SCHEMBL11253158 0.82 SETD7 (0.46) HTR2AHRH1OPRM1SIGMAR1HTR2C
SCHEMBL11249377 0.81 DRD2 (0.49) HTR2AHRH1MAPTSIGMAR1HTR2C
Bromide SCHEMBL11490261 0.81 SMN1; SMN2 (0.44) HTR2AHRH1MAPTSIGMAR1DRD2
Bromide SCHEMBL11255909 0.81 OPRL1 (0.48) HTR2AHRH1OPRM1OPRL1SIGMAR1
Bromide SCHEMBL11478623 0.81 SIGMAR1 (0.46) HTR2AHRH1CCR1SIGMAR1DRD2
SCHEMBL11254154 0.79 DRD2 (0.58) HTR2AHRH1OPRM1LMNASIGMAR1

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