SCHEMBL8550557

SCHEMBL8550557

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR1D P28221 9/20 0.41
HTR1B P28222 9/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CHRM4 P08173 1/20 0.39
DRD4 P21917 2/20 0.38
CYP2D6 P10635 1/20 0.38
MCHR1 Q99705 1/20 0.38
ATAD2 Q6PL18 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
SCHEMBL8547605 0.85 RORC (0.45) DRD2SLC6A4HTR1DHTR1BCHRM4
SCHEMBL8553701 0.83 BCHE (0.43) HTR1DHTR1BALDH1A1MAPTSMN1; SMN2
SCHEMBL8547656 0.82 KDM4E (0.45) DRD2SLC6A4NPC1RAB9AKDM4E
SCHEMBL8594485 0.81 DRD2 (0.40) DRD2SLC6A4HTR1DHTR1BKDM4E
SCHEMBL8548789 0.80 UBE2M (0.39) DRD2SLC6A4SMN1; SMN2
SCHEMBL7480587 0.80 HTR1D (0.66) DRD2HTR1DHTR1B
SCHEMBL8548196 0.80 DRD2 (0.52) DRD2SLC6A4
SCHEMBL8551164 0.77 DRD2 (0.53) DRD2SLC6A4HTR1DHTR1BSMN1; SMN2
SCHEMBL8552316 0.75 NPC1 (0.54) DRD2SLC6A4NPC1RAB9AKDM4E
SCHEMBL8552297 0.74 DRD2 (0.48) DRD2SLC6A4

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