SCHEMBL8549865

SCHEMBL8549865

CCC=CCCOC(=O)Nc1ccc2occ(C3CCN(CCCCC)CC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 18/20 0.44
HTR2A P28223 17/20 0.44
DRD3 P35462 17/20 0.44
SLC6A4 P31645 1/20 0.43
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 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
SCHEMBL8549862 0.86 DRD2 (0.38) DRD2HTR2ADRD3SLC6A4
SCHEMBL8553525 0.84 DRD2 (0.43) DRD2SLC6A4KDM4ENPC1ALDH1A1
SCHEMBL7481590 0.84 HTR1D (0.56) DRD2
SCHEMBL8383438 0.82 MTNR1A (0.38) DRD2HTR2ADRD3KDM4ENPC1
SCHEMBL8383440 0.82 MTNR1A (0.38) DRD2HTR2ADRD3KDM4ENPC1
SCHEMBL8552345 0.81 DRD2 (0.54) DRD2HTR2ADRD3SLC6A4
SCHEMBL8548355 0.81 DRD2 (0.47) DRD2HTR2ADRD3SLC6A4
SCHEMBL8703719 0.80 DRD2 (0.53) DRD2HTR2ADRD3SLC6A4
SCHEMBL8551462 0.80 DRD2 (0.53) DRD2HTR2ADRD3SLC6A4
SCHEMBL8551459 0.80 DRD2 (0.53) DRD2HTR2ADRD3SLC6A4

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
US-5792763-A MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
WO-1998015545-A1 NEW SEROTONIN 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed