SCHEMBL8552288

SCHEMBL8552288

CCCCCCN1CCC(c2csc3ccc(NC(=O)Oc4cccc(Cl)c4)cc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
SLC6A4 P31645 1/20 0.43
HRH3 Q9Y5N1 9/20 0.43
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
ACHE P22303 4/20 0.41
CCR2 P41597 2/20 0.40
HSD17B10 Q99714 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
SCHEMBL7489512 0.84 HTR1D (0.57) DRD2CCR2
SCHEMBL8548974 0.84 DRD2 (0.45) DRD2SLC6A4HRH3UBE2MDCUN1D1
SCHEMBL30909024 0.84 HTR1D (0.57) DRD2CCR2
SCHEMBL8551732 0.81 FAAH (0.47) DRD2SLC6A4UBE2MDCUN1D1
SCHEMBL8702974 0.81 DRD2 (0.53) DRD2SLC6A4UBE2MDCUN1D1CCR2
SCHEMBL8721249 0.80 ALPL (0.41) HRH3
SCHEMBL8546639 0.80 SMN1; SMN2 (0.48) DRD2SLC6A4UBE2MDCUN1D1CCR2
SCHEMBL8552297 0.80 DRD2 (0.48) DRD2SLC6A4
SCHEMBL8553525 0.79 DRD2 (0.43) DRD2SLC6A4
SCHEMBL8550766 0.79 HTR1D (0.50) DRD2HSD17B10

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