SCHEMBL7144550

SCHEMBL7144550

Cc1[nH]c2ccc(NC(=O)c3cccnc3Cl)cc2c1CCN(C)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
LMNA P02545 1/20 0.44
POLB P06746 2/20 0.44
HTR1F P30939 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 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
SCHEMBL8551920 0.86 ATM (0.46) ATMLMNAPOLBMAPTALDH1A1
SCHEMBL8552759 0.85 ATM (0.46) ATMLMNAPOLBMAPTALDH1A1
SCHEMBL7146399 0.83 HTR1F (0.61) HTR1FMAPTALDH1A1KDM4ERAB9A
SCHEMBL6668295 0.77 HTR1F (0.44) ATMLMNAPOLBHTR1FALDH1A1
SCHEMBL7143345 0.71 HTR1F (0.63) HTR1FMAPTALDH1A1KDM4ENPC1
SCHEMBL7141203 0.69 HTR1F (0.73) LMNAPOLBHTR1FMAPTALDH1A1
SCHEMBL7655272 0.69 HTR1F (0.68) HTR1FALDH1A1KDM4ENPC1RAB9A
SCHEMBL7144495 0.68 HTR1F (0.64) LMNAHTR1FMAPTALDH1A1KDM4E
SCHEMBL8191020 0.67 HTR1F (0.42) LMNAPOLBHTR1FMAPTALDH1A1
SCHEMBL7142178 0.67 HTR1F (0.71) LMNAHTR1FMAPTALDH1A1KDM4E

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