SCHEMBL8109130

SCHEMBL8109130

CC(C)n1cc(CCNC2CCc3[nH]c4ccc(NC(=O)Oc5ccccc5Cl)cc4c3C2)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
ABL1 P00519 1/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
RIN1 Q13671 1/20 0.37
HTR1F P30939 1/20 0.36
MAPT P10636 4/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
ROCK2 O75116 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
RORC P51449 1/20 0.34

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
Glycolic Acid SCHEMBL30908766 0.97 KMT2A (0.37) KMT2AABL1ALPLALPIALPG
SCHEMBL8109141 0.90 KMT2A (0.38) KMT2AABL1ALPLALPIALPG
Glycolic Acid SCHEMBL30908912 0.87 VPS4B (0.37) KMT2AABL1ALPLALPIALPG
SCHEMBL8100845 0.86 HTR1F (0.39) KMT2AABL1ALPLALPIALPG
SCHEMBL30909244 0.86 HTR1F (0.39) KMT2AABL1ALPLALPIALPG
Hydrochloric Acid SCHEMBL7657938 0.83 HTR1F (0.55) HTR1FHTR1AHTR1DHTR1B
SCHEMBL8116970 0.80 HTR1D (0.39) HTR1FHTR1AHTR1DHTR1BSIGMAR1
SCHEMBL7661452 0.79 EGFR (0.41) HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL7657139 0.79 EGFR (0.42) HTR1AHTR1DHTR1B
Hexanoate SCHEMBL8110191 0.77 HTR1A (0.39) HTR1FHTR1AHTR1DHTR1BROCK2

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