SCHEMBL11249377

SCHEMBL11249377

O=C(CCCCN1CCC2(CC1)C(=O)c1ccccc1Oc1ccccc12)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.49
SIGMAR1 Q99720 4/20 0.46
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 2/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC18A3 Q16572 2/20 0.42
HTR1A P08908 2/20 0.42
SLC6A4 P31645 1/20 0.42
HTR7 P34969 1/20 0.42
HRH1 P35367 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL11254297 0.90 DRD2 (0.49) DRD2SIGMAR1HTR2AHTR2BHTR2C
SCHEMBL11254154 0.89 DRD2 (0.58) DRD2SIGMAR1HTR2AHTR2BHTR2C
Bromide SCHEMBL11252759 0.88 DRD2 (0.57) DRD2SIGMAR1HTR2AHTR2BHTR2C
SCHEMBL11316484 0.81 HTR2A (0.40) DRD2SIGMAR1HTR2AHTR2BHTR2C
Bromide SCHEMBL11488069 0.80 HTR2A (0.39) DRD2SIGMAR1HTR2AHTR2BHTR2C
Bromide SCHEMBL11259055 0.79 DRD2 (0.55) DRD2SIGMAR1HTR2AHTR2BHTR2C
Bromide SCHEMBL11490261 0.79 SMN1; SMN2 (0.44) DRD2SIGMAR1HTR2ADRD3KDM4E
SCHEMBL11302698 0.79 DRD2 (0.47) DRD2SIGMAR1HTR2AHTR2BHTR2C
Bromide SCHEMBL11476443 0.78 SIGMAR1 (0.53) DRD2SIGMAR1HTR2AHTR2BHTR2C
Hydrochloric Acid SCHEMBL11394275 0.78 DRD2 (0.62) DRD2SIGMAR1HTR2AHTR2BHTR2C

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