SCHEMBL11258495

SCHEMBL11258495

CN1CCC2(CC1)C(=O)c1ccccc1Oc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.47
SIGMAR1 Q99720 5/20 0.44
HTR2A P28223 3/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
DRD2 P14416 5/20 0.43
DRD4 P21917 5/20 0.43
HRH4 Q9H3N8 3/20 0.42
HRH1 P35367 2/20 0.41
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
OPRM1 P35372 1/20 0.37
AVPR1A P37288 1/20 0.36

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 SCHEMBL11253158 0.99 SETD7 (0.46) SETD7SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL11244787 0.86 HTR2A (0.43) SETD7SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL11248897 0.86 HRH1 (0.56) SETD7HTR2AHTR2CHTR2BDRD2
Bromide SCHEMBL11473841 0.85 HRH1 (0.56) SETD7HTR2AHTR2CHTR2BDRD2
Bromide SCHEMBL11309721 0.85 HTR2A (0.42) SETD7SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL7675241 0.85 DRD4 (0.46) SETD7SIGMAR1DRD2DRD4HRH4
SCHEMBL30089988 0.85 DRD4 (0.46) SETD7SIGMAR1DRD2DRD4HRH4
SCHEMBL11242039 0.84 HRH1 (0.42) HTR2AHRH1
Hydrochloric Acid SCHEMBL7673355 0.83 DRD4 (0.44) SETD7SIGMAR1DRD2DRD4HRH4
SCHEMBL11316484 0.83 HTR2A (0.40) SIGMAR1HTR2AHTR2CHTR2BDRD2

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 3 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
US-4198418-A ANALGESICS, TRANQUILIZERS, ANTICONVULSANTS AMERICAN HOECHST CORPORATION (US) 1980-04-15 US disclosed