SCHEMBL9687660

SCHEMBL9687660

COc1ccccc1N1CCN(CCCC2CCc3onc(-c4ccccc4)c3C2=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.56
DRD4 P21917 6/20 0.54
DRD2 P14416 6/20 0.54
SIGMAR1 Q99720 3/20 0.54
ADRA1D P25100 2/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
DRD3 P35462 3/20 0.51
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
HTR1A P08908 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTR7 P34969 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR2A P28223 1/20 0.49

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 SCHEMBL9023938 0.99 HTR2C (0.56) HTR2CDRD4DRD2SIGMAR1ADRA1D
SCHEMBL9024113 0.94 HTR2C (0.54) HTR2CDRD4DRD2SIGMAR1ADRA1D
SCHEMBL9474916 0.93 HTR2C (0.53) HTR2CDRD4DRD2SIGMAR1ADRA1D
Hydrochloric Acid SCHEMBL9445171 0.93 HTR2C (0.53) HTR2CDRD4DRD2SIGMAR1ADRA1D
SCHEMBL9445318 0.88 HTR2C (0.56) HTR2CDRD4DRD2SIGMAR1ADRA1D
SCHEMBL9688546 0.88 HTR2C (0.56) HTR2CDRD4DRD2SIGMAR1ADRA1D
Hydrochloric Acid SCHEMBL9023951 0.88 HTR2C (0.55) HTR2CDRD4DRD2SIGMAR1ADRA1D
SCHEMBL9689848 0.86 NR4A2 (0.41) HTR2CDRD2SIGMAR1HTR1AHTR2A
SCHEMBL9024747 0.86 HTR2C (0.57) HTR2CDRD4DRD2SIGMAR1ADRA1D
SCHEMBL9445210 0.84 DCTPP1 (0.39) DRD2DRD3HTR1AHTR2A

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