SCHEMBL7146842

SCHEMBL7146842

Cc1[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2c1CCN(C)Cc1ccnc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.47
HTR6 P50406 4/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
EPHB2 P29323 1/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
KIT P10721 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8931396 0.94 BRD4 (0.48) BRD4HTR6ADRA2AADRA2BADRA2C
SCHEMBL8553359 0.84 HIF1A (0.42) HTR6MAPTGAAHTTSMN1; SMN2
SCHEMBL8549554 0.84 HTR6 (0.42) BRD4HTR6HTR7HTR2BMAPT
SCHEMBL8180841 0.77 HTR1F (0.44) HTR6MAPTGAASMN1; SMN2
SCHEMBL7145980 0.74 HTR1F (0.43) EPHB2MAPTGAASMN1; SMN2
SCHEMBL7145054 0.74 KMT2A (0.41) MAPTGAAHTTSMN1; SMN2
SCHEMBL7138773 0.73 IMPDH2 (0.45) BRD4HTR6MAPT
SCHEMBL7141353 0.73 HTR1F (0.36) HTR6ADRA2AADRA2BADRA2CHTR7
SCHEMBL8197371 0.71 NPC1 (0.49) SMN1; SMN2
SCHEMBL7144303 0.66 BRD4 (0.43) BRD4HTR6ADRA2AADRA2BADRA2C

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-0768301-B1 N-(2-substituted-3-(2-aminoethyl)-1H-indol-5-yl)-amides as new 5-HT1F agonists LILLY CO ELI (US) 2003-04-02 EP disclosed
US-6126932-A INSOLUBLE POLYMER BEARING PENDANT SIDE CHAINS, SAID SIDE CHAINS EACH TERMINATING WITH THE 1-(3-(1-PYRROLIDINYL)-PROPYL)-3-ETHYLCARBODIIMIDE MOIETY. ELI LILLY AND COMPANY (US) 2000-10-03 US disclosed
EP-0994109-A2 1-(3-(1-Pyrrolidinyl)propyl)-3-ethylcarbodiimide and a solid phase coupling agent ELI LILLY AND COMPANY (US) 2000-04-19 EP disclosed
EP-0768301-A1 N-(2-substituted-3-(2-aminoethyl)-1H-indol-5-yl)-amides as new 5-HT1F agonists ELI LILLY AND COMPANY (US) 1997-04-16 EP disclosed