SCHEMBL9334148

SCHEMBL9334148

CCN(C)C1CCc2[nH]c3ccc(C(=O)NO)cc3c2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.56
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
HTR1A P08908 4/20 0.53
HTR1B P28222 3/20 0.53
HTR1D P28221 1/20 0.53
RAB9A P51151 1/20 0.49
DRD2 P14416 2/20 0.49
DRD4 P21917 1/20 0.49
HTR1E P28566 1/20 0.49
HTR7 P34969 1/20 0.49
OPRM1 P35372 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.45

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
Oxalic Acid SCHEMBL7765669 0.97 HTR1F (0.53) HTR1FALDH1A1LMNAKMT2AMEN1
SCHEMBL9333438 0.89 HTR1F (0.68) HTR1FALDH1A1LMNAKMT2AMEN1
SCHEMBL2360293 0.87 HTR1F (0.52) HTR1FALDH1A1LMNAKMT2AMEN1
Oxalic Acid SCHEMBL9334173 0.86 HTR1F (0.64) HTR1FALDH1A1LMNAKMT2AMEN1
SCHEMBL9263948 0.82 HTR1F (0.52) HTR1FALDH1A1LMNAKMT2AMEN1
SCHEMBL7743816 0.81 HTR1A (0.60) ALDH1A1LMNAKMT2AMEN1HTR1A
SCHEMBL9265318 0.81 HTR1A (0.60) ALDH1A1LMNAKMT2AMEN1HTR1A
SCHEMBL2359786 0.81 HTR1A (0.60) ALDH1A1LMNAKMT2AMEN1HTR1A
Hydrochloric Acid SCHEMBL9263041 0.80 HTR1A (0.59) ALDH1A1LMNAKMT2AMEN1HTR1A
SCHEMBL9263920 0.80 HTR1F (0.48) HTR1FALDH1A1LMNAKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591280-A1 USE OF TETRAHYDROCARBAZOLE DERIVATIVES AS 5HT1-RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-04-13 EP claimed
WO-1993000086-A1 USE OF TETRAHYDROCARBAZONE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-01-07 WO claimed