SCHEMBL7144596

SCHEMBL7144596

Cc1[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc2c1CCNC1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 3/20 0.66
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 2/20 0.46
HTR2B P41595 1/20 0.46
HTR1D P28221 7/20 0.45
HTR1B P28222 5/20 0.45
HTR1A P08908 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SNCA P37840 1/20 0.44
NPC1 O15118 1/20 0.44
ADORA1 P30542 1/20 0.43
CHRM2 P08172 1/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL7141265 0.84 HTR1F (0.76) HTR1FMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL7141051 0.84 HTR1F (0.71) HTR1FLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL27498236 0.82 HTR1F (0.72) HTR1FLMNAPOLBMAPTALDH1A1
SCHEMBL7144554 0.81 HTR1F (0.77) HTR1FMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL7143303 0.79 HTR1F (1.00) HTR1FLMNAMAPTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL7138726 0.79 HTR1F (0.98) HTR1FLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL7144771 0.77 HTR1F (0.83) HTR1FLMNAPOLBMAPTSMN1; SMN2
SCHEMBL8598857 0.76 HTR1F (0.81) HTR1FLMNAPOLBMAPTSMN1; SMN2
SCHEMBL7142217 0.76 HTR1F (0.62) HTR1FMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL7145129 0.76 HTR1F (0.62) HTR1FMAPTSMN1; SMN2L3MBTL1RAB9A

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 3 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-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