SCHEMBL8549366

SCHEMBL8549366

Cc1cc(F)ccc1C(=O)Nc1ccc2oc(C)c(CCN(C)Cc3ccco3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.39
HTR1F P30939 3/20 0.39
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
RAB9A P51151 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPC1 O15118 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36
CYP1A2 P05177 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
Hydrochloric Acid SCHEMBL8551686 0.99 TP53 (0.40) TP53LMNAMAPTHTR1FCTNNB1
Hydrochloric Acid SCHEMBL8552477 0.88 NPC1 (0.39) TP53MAPTHTR1FMEN1KMT2A
SCHEMBL8552089 0.85 HTR1F (0.52) TP53MAPTHTR1FMEN1KMT2A
Hydrochloric Acid SCHEMBL8548396 0.85 SMN1; SMN2 (0.38) LMNAMAPTHTR1FMEN1KMT2A
Hydrochloric Acid SCHEMBL8551526 0.83 MAPT (0.37) LMNAMAPTHTR1FMEN1KMT2A
SCHEMBL8553330 0.83 NPC1 (0.38) TP53MAPTHTR1FMEN1KMT2A
SCHEMBL8549211 0.78 HTR1F (0.49) MAPTHTR1FRAB9ATDP1NPC1
SCHEMBL8548549 0.78 HTR1F (0.50) TP53MAPTHTR1FCTNNB1TCF7L2
SCHEMBL8709033 0.76 HTR1F (0.48) TP53MAPTHTR1FMEN1KMT2A
SCHEMBL8552580 0.75 HTR1F (0.65) TP53MAPTHTR1FMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792763-A MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed