SCHEMBL7145980

SCHEMBL7145980

Cc1[nH]c2ccc(NC(=O)OC3CCCCC3)cc2c1CCN(C)Cc1ccnc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.43
MAPT P10636 7/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
POLB P06746 1/20 0.37
EPHB2 P29323 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
SCHEMBL8180841 0.87 HTR1F (0.44) HTR1FMAPTALDH1A1MAPK1KMT2A
SCHEMBL7145054 0.81 KMT2A (0.41) HTR1FMAPTALDH1A1MAPK1KMT2A
SCHEMBL7141367 0.79 HTR1F (0.42) HTR1FMAPTALDH1A1MAPK1KMT2A
SCHEMBL8181305 0.78 EGFR (0.41) HTR1FMAPTALDH1A1KMT2AMEN1
SCHEMBL8197371 0.77 NPC1 (0.49) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL7146842 0.74 BRD4 (0.47) MAPTSMN1; SMN2GAAEPHB2
SCHEMBL7138876 0.74 HTR1F (0.45) HTR1FMAPTALDH1A1KMT2AMEN1
Acetic Acid SCHEMBL8192311 0.72 HTR1F (0.42) HTR1FMAPTALDH1A1MAPK1KMT2A
SCHEMBL8180418 0.72 HTR1F (0.43) HTR1FMAPTALDH1A1MAPK1KMT2A
SCHEMBL8546895 0.71 MEN1 (0.43) MAPTALDH1A1MAPK1KMT2AMEN1

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