SCHEMBL8552327

SCHEMBL8552327

CCC(C)N1CCC(c2coc3ccc(NC(=S)Nc4ccccc4OC)cc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.39
DRD2 P14416 2/20 0.38
HTR2A P28223 1/20 0.38
DRD3 P35462 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
THRB P10828 1/20 0.38
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC6A4 P31645 1/20 0.37

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
SCHEMBL7485759 0.83 HTR1D (0.47) GAAALOX12
SCHEMBL8548045 0.77 DRD2 (0.34) GAAALDH1A1DRD2HTR2ADRD3
SCHEMBL8549309 0.77 UBE2M (0.39) DRD2SLC6A4
SCHEMBL8707206 0.76 DRD2 (0.37) POLBDRD2HTR2ADRD3SLC6A4
SCHEMBL8707209 0.76 DRD2 (0.38) ALDH1A1DRD2HTR2ADRD3THRB
SCHEMBL8550072 0.75 MAPT (0.44) POLBGAAMAPTALDH1A1DRD2
SCHEMBL8548067 0.74 KMT2A (0.41) POLBGAAMAPTALDH1A1DRD2
SCHEMBL8548353 0.73 UBE2M (0.40) DRD2HTR2ADRD3
SCHEMBL8709640 0.72 DRD2 (0.53) DRD2HTR2ADRD3SLC6A4
SCHEMBL8548389 0.72 DRD2 (0.39) DRD2HTR2ADRD3

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