SCHEMBL8551516

SCHEMBL8551516

CCCOC(=O)N(C(=O)Nc1ccc2scc(C3CCN(CC(C)C)CC3)c2c1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.40
SLC6A4 P31645 1/20 0.40
P2RY1 P47900 1/20 0.35
KCNH2 Q12809 1/20 0.35
CHRM4 P08173 1/20 0.35
HTR1A P08908 1/20 0.34
UBE2M P61081 7/20 0.34
DCUN1D1 Q96GG9 7/20 0.34
OPRD1 P41143 1/20 0.33
NPY5R Q15761 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
ADRA1A P35348 1/20 0.32

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
SCHEMBL7489102 0.85 HTR1D (0.47) DRD2HTR1A
SCHEMBL30908972 0.85 HTR1D (0.47) DRD2HTR1A
SCHEMBL8552510 0.82 DRD2 (0.40) DRD2SLC6A4P2RY1KCNH2CHRM4
SCHEMBL8552507 0.81 DRD2 (0.39) DRD2SLC6A4NPY5R
SCHEMBL8551514 0.80 ALDH1A1 (0.42) DRD2SLC6A4P2RY1KCNH2
SCHEMBL8550058 0.80 DRD2 (0.41) DRD2SLC6A4CHRM4HTR1AUBE2M
SCHEMBL8547064 0.78 DRD2 (0.46) DRD2SLC6A4UBE2MDCUN1D1
SCHEMBL8551607 0.78 DRD2 (0.57) DRD2SLC6A4CHRM4UBE2MDCUN1D1
SCHEMBL8704937 0.77 DRD2 (0.44) DRD2SLC6A4P2RY1KCNH2CHRM4
SCHEMBL8552124 0.77 DRD2 (0.43) DRD2SLC6A4P2RY1KCNH2CHRM4

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