SCHEMBL9688546

SCHEMBL9688546

COc1ccccc1N1CCN(CCCC2CCc3onc(-c4ccccc4F)c3C2=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.56
DRD2 P14416 3/20 0.51
DRD4 P21917 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
HTR1A P08908 3/20 0.48
HTR7 P34969 3/20 0.48
HTR2A P28223 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
DRD3 P35462 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALOX12 P18054 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 1/20 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
Hydrochloric Acid SCHEMBL9023951 0.99 HTR2C (0.55) HTR2CDRD2DRD4SIGMAR1HTR1A
SCHEMBL9445175 0.91 HTR2C (0.51) HTR2CDRD2HTR1AHTR7HTR2A
SCHEMBL9445318 0.90 HTR2C (0.56) HTR2CDRD2DRD4SIGMAR1HTR1A
SCHEMBL9024113 0.89 HTR2C (0.54) HTR2CDRD2DRD4SIGMAR1HTR1A
SCHEMBL9687660 0.88 HTR2C (0.56) HTR2CDRD2DRD4SIGMAR1HTR1A
Hydrochloric Acid SCHEMBL9023938 0.88 HTR2C (0.56) HTR2CDRD2DRD4SIGMAR1HTR1A
SCHEMBL9024282 0.87 HTR7 (0.42) HTR2CDRD2HTR1AHTR7HTR2A
SCHEMBL9474916 0.85 HTR2C (0.53) HTR2CDRD2DRD4SIGMAR1ADRA1D
Fumaric Acid SCHEMBL9445247 0.85 HTR2C (0.46) HTR2CDRD2HTR1AHTR7HTR2A
Maleic Acid SCHEMBL9445239 0.85 HTR2C (0.46) HTR2CDRD2HTR1AHTR7HTR2A

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-5114936-A Antipsychotic and analgesic agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-05-19 US claimed