SCHEMBL8552089

SCHEMBL8552089

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 5/20 0.52
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CTDSP1 Q9GZU7 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.38
ACHE P22303 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 1/20 0.38
HCRTR1 O43613 1/20 0.38
PPARG P37231 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37

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
SCHEMBL8549211 0.92 HTR1F (0.49) HTR1FNPC1RAB9ACTDSP1TDP1
SCHEMBL8709033 0.90 HTR1F (0.48) HTR1FNPC1RAB9ACTDSP1TDP1
SCHEMBL8552580 0.89 HTR1F (0.65) HTR1FNPC1RAB9ATDP1MAPT
Hydrochloric Acid SCHEMBL8552477 0.86 NPC1 (0.39) HTR1FNPC1RAB9ACTDSP1TDP1
SCHEMBL8549366 0.85 TP53 (0.41) HTR1FNPC1RAB9ACTDSP1TDP1
Hydrochloric Acid SCHEMBL8548396 0.84 SMN1; SMN2 (0.38) HTR1FNPC1RAB9ACTDSP1TDP1
SCHEMBL8553330 0.84 NPC1 (0.38) HTR1FNPC1RAB9ACTDSP1TDP1
Hydrochloric Acid SCHEMBL8551686 0.84 TP53 (0.40) HTR1FNPC1RAB9ACTDSP1TDP1
Hydrochloric Acid SCHEMBL8551526 0.82 MAPT (0.37) HTR1FNPC1RAB9ACTDSP1TDP1
SCHEMBL8549838 0.81 ALDH1A1 (0.47) HTR1FNPC1RAB9AMAPTMEN1

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