SCHEMBL10480940

SCHEMBL10480940

OC(c1ccc(F)cc1)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.62
HTR2A P28223 4/20 0.62
ADRA2A P08913 4/20 0.62
SLC6A2 P23975 4/20 0.62
SLC6A4 P31645 4/20 0.62
DRD3 P35462 4/20 0.62
DRD2 P14416 3/20 0.62
ADRA2B P18089 3/20 0.62
ADRA2C P18825 3/20 0.62
HTR2C P28335 3/20 0.62
HRH1 P35367 3/20 0.62
HTR2B P41595 3/20 0.62
DRD1 P21728 3/20 0.62
CHRM5 P08912 2/20 0.62
ADRA1D P25100 2/20 0.62
HTR6 P50406 2/20 0.62
SIGMAR1 Q99720 2/20 0.62
MAPK1 P28482 5/20 0.62
LMNA P02545 5/20 0.62
MAPT P10636 4/20 0.62

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
SCHEMBL10480879 0.90 KDM1A (0.59) CYP2D6HTR2AADRA2ASLC6A2SLC6A4
SCHEMBL10480880 0.88 DRD3 (0.65) CYP2D6HTR2AADRA2ASLC6A2SLC6A4
SCHEMBL10481071 0.87 KDM1A (0.54) CYP2D6HTR2AADRA2ASLC6A2SLC6A4
SCHEMBL10480885 0.83 KDM1A (0.64) CYP2D6HTR2AADRA2ASLC6A2SLC6A4
SCHEMBL11743885 0.82 DRD2 (0.73) CYP2D6HTR2AADRA2ASLC6A2SLC6A4
Fumaric Acid SCHEMBL10481039 0.81 LMNA (0.53) CYP2D6HTR2AADRA2ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL11749117 0.80 DRD2 (0.71) CYP2D6HTR2AADRA2ASLC6A2SLC6A4
SCHEMBL10480876 0.80 HRH1 (0.61) HTR2AADRA2ASLC6A2SLC6A4DRD3
SCHEMBL11686337 0.79 LMNA (0.67) CYP2D6HTR2AADRA2ASLC6A2SLC6A4
SCHEMBL10480976 0.78 FPR2 (0.61) CYP2D6HTR2AADRA2ASLC6A2SLC6A4

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-4822796-A ANALGESIC, PSYCHOLOGICAL DISORDERS AVENTIS HOLDINGS INC. 1989-04-18 US disclosed