SCHEMBL8552559

SCHEMBL8552559

CCCCN1CCC(c2csc3ccc(NC(=O)N(CCCC)CCCC)cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
SLC6A4 P31645 1/20 0.47
DCUN1D1 Q96GG9 12/20 0.43
UBE2M P61081 11/20 0.43
ALDH1A1 P00352 1/20 0.40
HTR1D P28221 5/20 0.40
HTR1B P28222 3/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
CHRM2 P08172 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
SCHEMBL8550182 0.89 DRD2 (0.47) DRD2SLC6A4DCUN1D1UBE2MHTR1D
SCHEMBL8547257 0.85 DRD2 (0.48) DRD2SLC6A4DCUN1D1UBE2M
SCHEMBL8703019 0.84 DRD2 (0.53) DRD2SLC6A4DCUN1D1UBE2M
SCHEMBL8553349 0.83 DRD2 (0.47) DRD2SLC6A4ALDH1A1HTR1D
SCHEMBL8553830 0.83 DRD2 (0.46) DRD2SLC6A4DCUN1D1UBE2M
SCHEMBL8552297 0.82 DRD2 (0.48) DRD2SLC6A4
SCHEMBL7480770 0.81 HTR1D (0.61) DRD2HTR1DHTR1BCHRM2
SCHEMBL8551373 0.81 DRD2 (0.49) DRD2SLC6A4DCUN1D1UBE2M
SCHEMBL8702974 0.81 DRD2 (0.53) DRD2SLC6A4DCUN1D1UBE2MHTR1D
SCHEMBL8547064 0.81 DRD2 (0.46) DRD2SLC6A4DCUN1D1UBE2MOPRM1

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