SCHEMBL11245513

SCHEMBL11245513

N#CN1CCC2(CC1)C(=O)c1cc(F)ccc1Oc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.41
HTR2A P28223 2/20 0.41
OTUD7B Q6GQQ9 14/20 0.36
MAPT P10636 1/20 0.34

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
SCHEMBL11277843 0.87 HRH1 (0.54) HRH1HTR2AOTUD7BMAPT
SCHEMBL11244787 0.85 HTR2A (0.43) HRH1HTR2AMAPT
Bromide SCHEMBL11309721 0.84 HTR2A (0.42) HRH1HTR2AMAPT
SCHEMBL11475319 0.81 HRH1 (0.44) HRH1HTR2A
SCHEMBL11244523 0.80 MAPT (0.47) HRH1HTR2AMAPT
Hydrochloric Acid SCHEMBL11242648 0.79 MAPT (0.47) HRH1HTR2AMAPT
SCHEMBL11245424 0.78 HTR2A (0.54) HRH1HTR2AOTUD7BMAPT
SCHEMBL11302698 0.76 DRD2 (0.47) HRH1HTR2A
SCHEMBL11254297 0.74 DRD2 (0.49) HRH1HTR2A
SCHEMBL11248897 0.71 HRH1 (0.56) HRH1HTR2AMAPT

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