SCHEMBL11236973

SCHEMBL11236973

O=C1CC2CCC(C1)N2CCCC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.51
SLC6A3 Q01959 6/20 0.47
SLC6A2 P23975 5/20 0.47
CHRM1 P11229 3/20 0.47
DRD2 P14416 3/20 0.47
DRD4 P21917 3/20 0.47
SLC6A4 P31645 3/20 0.47
DRD3 P35462 3/20 0.47
MAPK1 P28482 3/20 0.47
MEN1 O00255 2/20 0.47
GMNN O75496 2/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
NFKB1 P19838 2/20 0.47
THPO P40225 2/20 0.47
BLM P54132 2/20 0.47
PMP22 Q01453 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47

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
SCHEMBL4283782 0.75 HTR2A (0.47) SLC18A3SLC6A3SLC6A2CHRM1DRD2
SCHEMBL11236719 0.74 DRD2 (0.53) SLC18A3SLC6A3SLC6A2CHRM1DRD2
SCHEMBL7295696 0.74 SCN5A (0.58) SLC6A3SLC6A2CHRM1DRD2DRD4
SCHEMBL11236713 0.73 DRD2 (0.49) SLC18A3SLC6A3SLC6A2CHRM1DRD2
SCHEMBL6153609 0.71 DRD2 (0.50) SLC6A2DRD2DRD4DRD3ALDH1A1
SCHEMBL11235162 0.70 DRD2 (0.38) SLC18A3SLC6A3SLC6A2CHRM1DRD2
SCHEMBL13504722 0.69 HTR2A (0.59) SLC6A3SLC6A2CHRM1DRD2DRD4
SCHEMBL4652287 0.69 CYP3A4 (0.41) SLC18A3SLC6A3SLC6A2CHRM1DRD2
SCHEMBL14641553 0.69 CYP3A4 (0.46) SLC6A3SLC6A2CHRM1DRD2DRD4
SCHEMBL4282157 0.68 ALDH1A1 (0.55) SLC6A3SLC6A2CHRM1DRD2DRD4

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-4366154-A TRANQUILIZERS; PSYCHOLOGICAL DISORDERS SANDOZ, INC. (US) 1982-12-28 US disclosed