SCHEMBL8553830

SCHEMBL8553830

CCCCN1CCC(c2csc3ccc(NC(=O)N(c4ccccc4)C(C)CC)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
SLC6A4 P31645 1/20 0.46
DCUN1D1 Q96GG9 15/20 0.44
UBE2M P61081 14/20 0.44

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
SCHEMBL8547257 0.88 DRD2 (0.48) DRD2SLC6A4DCUN1D1UBE2M
SCHEMBL8550182 0.86 DRD2 (0.47) DRD2SLC6A4DCUN1D1UBE2M
SCHEMBL8551607 0.84 DRD2 (0.57) DRD2SLC6A4DCUN1D1UBE2M
SCHEMBL7482537 0.84 HTR1D (0.54) DRD2
SCHEMBL8547064 0.84 DRD2 (0.46) DRD2SLC6A4DCUN1D1UBE2M
SCHEMBL30909097 0.84 HTR1D (0.54) DRD2
SCHEMBL8703019 0.84 DRD2 (0.53) DRD2SLC6A4DCUN1D1UBE2M
SCHEMBL8552559 0.83 DRD2 (0.47) DRD2SLC6A4DCUN1D1UBE2M
SCHEMBL8702974 0.81 DRD2 (0.53) DRD2SLC6A4DCUN1D1UBE2M
SCHEMBL8548444 0.81 ALDH1A1 (0.39) DRD2SLC6A4DCUN1D1UBE2M

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