SCHEMBL189975

SCHEMBL189975

CC(C)(CN)c1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.58
HTR2A P28223 2/20 0.58
HTR2B P41595 2/20 0.58
LMNA P02545 1/20 0.58
ADRA2B P18089 1/20 0.58
KCNH2 Q12809 1/20 0.58
HTR1B P28222 10/20 0.41
HTR1D P28221 9/20 0.41
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36
OPRM1 P35372 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
POLB P06746 1/20 0.36
ALKBH5 Q6P6C2 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
SCHEMBL189974 0.81 HTR1A (0.68) HTR1AHTR2AHTR2BLMNAADRA2B
SCHEMBL14543690 0.79 HTR1D (0.55) HTR1AHTR2AHTR2BLMNAADRA2B
SCHEMBL1847568 0.78 HTR1A (0.74) HTR1AHTR2AHTR2BLMNAADRA2B
SCHEMBL3755821 0.76 LMNA (0.46) HTR1AHTR2AHTR2BLMNAADRA2B
Oxalic Acid SCHEMBL2788592 0.74 HTR1A (0.67) HTR1AHTR2AHTR2BLMNAADRA2B
SCHEMBL2881897 0.74 LMNA (0.47) HTR1AHTR2AHTR2BLMNAADRA2B
SCHEMBL2791148 0.74 HTR1A (0.74) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL3273179 0.73 HTR1A (1.00) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL29396422 0.73 HTR1A (1.00) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL1957 0.73 HTR1A (1.00) HTR1AHTR2AHTR2BLMNAADRA2B

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-2400986-A1 ENHANCED MIGRAINE TREATMENTS BASED ON GHRELIN MIMETICS Helsinn Therapeutics (U.S.), Inc. (US) 2012-01-04 EP disclosed
WO-2010099522-A1 ENHANCED MIGRAINE TREATMENTS BASED ON GHRELIN MIMETICS HELSINN THERAPEUTICS (U.S.), INC. (US) 2010-09-02 WO disclosed