SCHEMBL11790502

SCHEMBL11790502

O=C(CCCN1CCC(N2CCCCC2)CC1)c1ccc(F)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.69
ADRA2A P08913 3/20 0.69
DRD1 P21728 3/20 0.69
ADRA1A P35348 3/20 0.69
DRD3 P35462 3/20 0.69
KCNH2 Q12809 3/20 0.69
HRH3 Q9Y5N1 3/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
OPRM1 P35372 2/20 0.69
CHRM2 P08172 2/20 0.69
DRD2 P14416 4/20 0.63
CYP2D6 P10635 2/20 0.62
TSHR P16473 1/20 0.61
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HTR2A P28223 2/20 0.58
SLC6A3 Q01959 2/20 0.58
SLC6A4 P31645 1/20 0.58

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
SCHEMBL11797372 0.88 HTR1A (0.66) HTR1AADRA2ADRD1ADRA1ADRD3
Primaperone SCHEMBL310299 0.87 TSHR (0.74) HTR1AADRA2ADRD1ADRA1ADRD3
Primaperone SCHEMBL364809 0.85 TSHR (0.76) HTR1AADRA2ADRD1ADRA1ADRD3
SCHEMBL4496558 0.85 TSHR (0.76) HTR1AADRA2ADRD1ADRA1ADRD3
SCHEMBL5201062 0.84 ALDH1A1 (0.59) ADRA1ADRD3KMT2ADRD2KDM4E
Azabuperone SCHEMBL2111662 0.83 DRD3 (0.60) HTR1AADRA2ADRD1ADRA1ADRD3
SCHEMBL20254428 0.83 MEN1 (0.78) HTR1AADRA2ADRD1ADRA1ADRD3
Melperone SCHEMBL146287 0.82 KMT2A (1.00) HTR1AADRA2ADRD1ADRA1ADRD3
SCHEMBL11415059 0.82 MEN1 (0.76) HTR1AADRA2ADRD1ADRA1ADRD3
Hydrochloric Acid SCHEMBL30658979 0.82 MEN1 (0.76) HTR1AADRA2ADRD1ADRA1ADRD3

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-3936468-A PSYCHOTROPIC SUMITOMO CHEMICAL COMPANY, LTD. (JA) 1976-02-03 US disclosed