SCHEMBL7141367

SCHEMBL7141367

Cc1[nH]c2ccc(NC(=O)OC3CCCCCCC3)cc2c1CCN(C)Cc1ccc2ccncc2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.42
MAPT P10636 9/20 0.42
LMNA P02545 4/20 0.42
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.40
EPHB2 P29323 1/20 0.40
MAPK1 P28482 1/20 0.39
ROCK2 O75116 2/20 0.38
PRMT3 O60678 1/20 0.36
ROCK1 Q13464 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 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
SCHEMBL8191020 0.87 HTR1F (0.42) HTR1FMAPTLMNAALDH1A1NPSR1
SCHEMBL8546411 0.86 ROCK2 (0.37) MAPTKMT2AMEN1ROCK2PRMT3
SCHEMBL7138876 0.84 HTR1F (0.45) HTR1FMAPTLMNAALDH1A1NPSR1
SCHEMBL7145980 0.79 HTR1F (0.43) HTR1FMAPTLMNAALDH1A1NPSR1
SCHEMBL7145107 0.79 MAPT (0.43) HTR1FMAPTLMNAALDH1A1NPSR1
SCHEMBL7138773 0.76 IMPDH2 (0.45) MAPTLMNAALDH1A1NPSR1KMT2A
SCHEMBL4961841 0.75 PRMT3 (0.53) MAPTKMT2AMEN1PRMT3NPC1
SCHEMBL4961475 0.75 PRMT3 (0.53) MAPTKMT2AMEN1PRMT3NPC1
SCHEMBL8194168 0.74 TLR9 (0.43) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL7141203 0.72 HTR1F (0.73) HTR1FMAPTLMNAALDH1A1NPSR1

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 6 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
US-5998630-A A 1-(3-(1-PYRROLIDINYL)PROPY)-3-ETHYLCARBODIIMIDE ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed
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
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