SCHEMBL11070666

SCHEMBL11070666

OC(CCCN1CCC(Oc2ccc3ccccc3c2)CC1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.48
DRD2 P14416 3/20 0.48
DRD3 P35462 2/20 0.48
SLC6A4 P31645 3/20 0.47
HTR2A P28223 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL11358816 0.84 HTR2A (0.60) SIGMAR1DRD2DRD3HTR2A
SCHEMBL11065888 0.83 DRD2 (0.48) SIGMAR1DRD2DRD3SLC6A4HTR2A
SCHEMBL11065708 0.81 HTR5A (0.46) SIGMAR1DRD2DRD3HTR2A
SCHEMBL11072827 0.80 SIGMAR1 (0.45) SIGMAR1DRD2DRD3HTR2AKDM4E
SCHEMBL11073339 0.80 DRD2 (0.60) DRD2DRD3HTR2ASLC6A2SLC6A3
SCHEMBL11066510 0.79 HTR2A (0.42) SIGMAR1DRD2DRD3HTR2A
SCHEMBL11367314 0.79 HTR2A (0.55) HTR2AKDM4ECYP1A2
Hydrochloric Acid SCHEMBL11065041 0.79 DRD2 (0.59) DRD2DRD3HTR2ASLC6A2SLC6A3
SCHEMBL8809168 0.79 HTR2A (0.60) DRD3SLC6A4HTR2ASLC6A2
SCHEMBL11561263 0.78 HTR2A (0.53) SIGMAR1DRD2DRD3SLC6A4HTR2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4443462-A Antipsychotic 4-(naphthalenyloxy)piperidine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1984-04-17 US disclosed