SCHEMBL8931396

SCHEMBL8931396

Cc1[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2c1CCN(C)CCc1ccnc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.48
HTR6 P50406 5/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
HTR7 P34969 1/20 0.42
HTR2B P41595 1/20 0.42
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
KIT P10721 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7146842 0.94 BRD4 (0.47) BRD4HTR6ADRA2AADRA2BADRA2C
SCHEMBL8553359 0.78 HIF1A (0.42) HTR6MAPTGAAHTTSMN1; SMN2
SCHEMBL8549554 0.78 HTR6 (0.42) BRD4HTR6HTR7HTR2BMAPT
SCHEMBL8180841 0.71 HTR1F (0.44) HTR6MAPTGAASMN1; SMN2
SCHEMBL7138773 0.70 IMPDH2 (0.45) BRD4HTR6MAPT
SCHEMBL7145980 0.69 HTR1F (0.43) MAPTGAASMN1; SMN2
SCHEMBL7145054 0.68 KMT2A (0.41) MAPTGAAHTTSMN1; SMN2
SCHEMBL7141353 0.67 HTR1F (0.36) HTR6ADRA2AADRA2BADRA2CHTR7
SCHEMBL8197371 0.65 NPC1 (0.49) SMN1; SMN2
SCHEMBL7140329 0.63 HTR1F (0.62) HTR6ADRA2AADRA2BADRA2CHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997013512-A1 N-[2-SUBSTITUTED-3-(2-AMINOETHYL)-1H-INDOL-5-YL]-AMIDES: NEW 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1997-04-17 WO disclosed