SCHEMBL8101432

SCHEMBL8101432

CC(C)NCC1CCc2[nH]c3ccc(NC(=O)c4cccc(C=S)c4)cc3c2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.47
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 4/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
RORC P51449 1/20 0.38
HTR1B P28222 3/20 0.38
HTR1A P08908 2/20 0.38
HTR1D P28221 1/20 0.38
VPS4B O75351 1/20 0.38
VCP P55072 1/20 0.38
BRD4 O60885 1/20 0.37
DRD2 P14416 1/20 0.36

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
SCHEMBL8101435 0.86 HTR1F (0.47) HTR1FRAB9AALDH1A1LMNAMAPT
SCHEMBL8116267 0.85 HTR1F (0.49) HTR1FRAB9AALDH1A1LMNAMAPT
SCHEMBL8101002 0.77 KMT2A (0.46) HTR1FRAB9AALDH1A1MAPTKMT2A
Bromide SCHEMBL8100818 0.75 RORC (0.43) HTR1FALDH1A1LMNARORCHTR1B
Formic Acid SCHEMBL8109457 0.74 MEN1 (0.47) HTR1FRAB9AALDH1A1LMNAMAPT
SCHEMBL8110483 0.74 MAPT (0.44) HTR1FALDH1A1LMNAMAPTKMT2A
SCHEMBL8110482 0.74 LMNA (0.45) HTR1FRAB9AALDH1A1LMNAMAPT
SCHEMBL8109535 0.74 HTR1F (0.47) HTR1FRAB9AALDH1A1LMNAMAPT
SCHEMBL8116526 0.73 HTR1F (0.51) HTR1FRAB9AALDH1A1LMNAMAPT
SCHEMBL8110457 0.73 ALDH1A1 (0.50) HTR1FRAB9AALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749962-B1 6-substituted-1,2,3,4-tetrahydro-9H-carbazoles and 7-substituted-10H-cyclohepta(7,6-B)indoles LILLY CO ELI (US) 2000-11-02 EP disclosed
US-5814653-A SUMATRIPTAN FOR RELIEF OF MIGRAINE PAIN AND OTHER DISORDERS ASSOCIATED WITH PEPTIDE EXTRAVASATION DIE TO STUMULATION OF THE TRIGEMINAL GANGLIA; 5-HT 1F AGONISTS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed
US-5708187-A MIGRANE HEADACHES ELI LILLY AND COMPANY (US) 1998-01-13 US disclosed
EP-0749962-A1 6-substituted-1,2,3,4-tetrahydro-9H-carbazoles and 7-substituted-10H-cyclohepta(7,6-B)indoles ELI LILLY AND COMPANY (US) 1996-12-27 EP disclosed