SCHEMBL8552124

SCHEMBL8552124

CCc1ccccc1C(=O)Nc1ccc2scc(C3CCN(CC(C)C)CC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
SLC6A4 P31645 1/20 0.43
F2R P25116 1/20 0.41
NPY5R Q15761 1/20 0.41
CHRM4 P08173 1/20 0.37
MAOB P27338 1/20 0.37
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR1A P08908 1/20 0.36
PTGES O14684 1/20 0.36
LMNA P02545 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
SCHEMBL7481923 0.82 HTR1D (0.55) DRD2HTR1AHTR1D
SCHEMBL8550761 0.81 DRD2 (0.45) DRD2SLC6A4CHRM4MAPTKDM4E
SCHEMBL8704937 0.81 DRD2 (0.44) DRD2SLC6A4NPY5RCHRM4MAPT
SCHEMBL8547871 0.81 HTR1D (0.43) DRD2MAPTKDM4EALDH1A1RAB9A
SCHEMBL8552657 0.79 L3MBTL1 (0.49) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL8548023 0.79 DRD2 (0.50) DRD2SLC6A4MAPTMEN1KMT2A
SCHEMBL8550058 0.79 DRD2 (0.41) DRD2SLC6A4NPY5RCHRM4HTR1A
SCHEMBL8548010 0.79 DRD2 (0.40) DRD2SLC6A4CHRM4MAOBMAPT
SCHEMBL8553277 0.78 DRD2 (0.49) DRD2SLC6A4F2RKMT2AKDM4E
SCHEMBL8552510 0.78 DRD2 (0.40) DRD2SLC6A4NPY5RCHRM4HTR1A

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