SCHEMBL8549211

SCHEMBL8549211

Cc1oc2ccc(NC(=O)c3ccc(F)cc3F)cc2c1CCN(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
SNCA P37840 3/20 0.42
ALDH1A1 P00352 2/20 0.42
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AURKB Q96GD4 1/20 0.41
MAPT P10636 4/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
ACKR3 P25106 1/20 0.40
HDAC1 Q13547 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL8552089 0.92 HTR1F (0.52) HTR1FL3MBTL1NPC1RAB9ATDP1
SCHEMBL8709033 0.90 HTR1F (0.48) HTR1FL3MBTL1NPC1RAB9ATDP1
SCHEMBL8552580 0.87 HTR1F (0.65) HTR1FNPC1RAB9ATDP1SNCA
SCHEMBL8549838 0.81 ALDH1A1 (0.47) HTR1FNPC1RAB9AALDH1A1MAPT
SCHEMBL6647888 0.80 HTR1F (0.75) HTR1FL3MBTL1NPC1RAB9ATDP1
SCHEMBL7142148 0.80 HTR1F (0.76) HTR1FL3MBTL1SNCAALDH1A1MAPT
Hydrochloric Acid SCHEMBL7139630 0.79 HTR1F (0.75) HTR1FL3MBTL1SNCAALDH1A1MAPT
Hydrochloric Acid SCHEMBL8552477 0.79 NPC1 (0.39) HTR1FL3MBTL1NPC1RAB9ATDP1
SCHEMBL8549636 0.78 HTR1F (0.51) HTR1FL3MBTL1RAB9ATDP1ALDH1A1
SCHEMBL8547488 0.78 HTR1F (0.53) HTR1FL3MBTL1NPC1RAB9ATDP1

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