SCHEMBL11254154

SCHEMBL11254154

O=C(CCCN1CCC2(CC1)C(=O)c1ccccc1Oc1ccccc12)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.58
SIGMAR1 Q99720 5/20 0.58
HTR2A P28223 5/20 0.58
HTR2C P28335 3/20 0.58
HTR2B P41595 2/20 0.58
SLC18A3 Q16572 2/20 0.56
DRD4 P21917 2/20 0.51
DRD3 P35462 2/20 0.51
NPC1 O15118 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
HLA-A P04439 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CHRM2 P08172 1/20 0.50
ADRB1 P08588 1/20 0.50
CYP3A4 P08684 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
CYP2D6 P10635 1/20 0.50

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 SCHEMBL11252759 0.99 DRD2 (0.57) DRD2SIGMAR1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL11394275 0.90 DRD2 (0.62) DRD2SIGMAR1HTR2AHTR2CHTR2B
Bromide SCHEMBL11259055 0.90 DRD2 (0.55) DRD2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL11249377 0.89 DRD2 (0.49) DRD2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL11302698 0.88 DRD2 (0.47) DRD2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL11254297 0.87 DRD2 (0.49) DRD2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL11301666 0.84 DRD2 (0.51) DRD2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL11247140 0.83 DRD2 (0.58) DRD2SIGMAR1HTR2AHTR2CHTR2B
Bromide SCHEMBL11249107 0.82 DRD2 (0.57) DRD2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL11316484 0.79 HTR2A (0.40) DRD2SIGMAR1HTR2AHTR2CHTR2B

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 4 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 claimed
EP-0016261-A1 Spiro(dibenz(b,f)oxepin-piperidines) and methods of preparing same HOECHST AKTIENGESELLSCHAFT (DE) 1980-10-01 EP claimed
US-4198418-A ANALGESICS, TRANQUILIZERS, ANTICONVULSANTS AMERICAN HOECHST CORPORATION (US) 1980-04-15 US claimed
EP-0016261-A1 Spiro(dibenz(b,f)oxepin-piperidines) and methods of preparing same HOECHST AKTIENGESELLSCHAFT (DE) 1980-10-01 EP disclosed