SCHEMBL8645841

SCHEMBL8645841

NC1CCc2[nH]c3ccc(C(=O)N4CCCCC4)cc3c2C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 5/20 0.69
MAPT P10636 4/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 2/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CNR1 P21554 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
GFER P55789 1/20 0.53
HTR6 P50406 1/20 0.53
PARP1 P09874 4/20 0.53
HTR1D P28221 4/20 0.52
LMNA P02545 3/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HTR1A P08908 1/20 0.50
CNR2 P34972 1/20 0.50

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 SCHEMBL7542995 0.99 HTR1B (0.68) HTR1BMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL8649162 0.99 HTR1B (0.71) HTR1BMAPTKMT2ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7540490 0.98 HTR1B (0.69) HTR1BMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL7408877 0.83 HTR1F (0.59) HTR1BMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL1200009 0.82 HTR1B (1.00) HTR1BMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL15281757 0.82 HTR1B (1.00) HTR1BMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL13152879 0.82 HTR1B (1.00) HTR1BMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL2359775 0.79 HTR1B (0.76) HTR1BMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL14258623 0.78 CNR1 (0.83) MAPTSMN1; SMN2CNR1NPC1RAB9A
Hydrochloric Acid SCHEMBL9266080 0.78 HTR1B (0.74) HTR1BMAPTKMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0603432-B1 Tetrahydrocarbazole derivatives for the manufacture of a medicament for the treatment of a disease where a 5-HT1-like agonist is indicated SMITHKLINE BEECHAM PLC (GB) 1998-10-21 EP claimed
EP-0591280-B1 USE OF TETRAHYDROCARBAZOLE DERIVATIVES AS 5HT1-RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-09-09 EP claimed
EP-0603432-A1 Tetrahydrocarbazole derivatives for the manufacture of a medicament for the treatment of a disease where a 5-HT1-like agonist is indicated SMITHKLINE BEECHAM PLC (GB) 1994-06-29 EP claimed
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