SCHEMBL8552356

SCHEMBL8552356

CCC(CC)N1CCC(c2csc3ccc(NC(=O)N(C=O)c4ccccc4)cc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
SLC6A4 P31645 1/20 0.39
UBE2M P61081 13/20 0.38
DCUN1D1 Q96GG9 13/20 0.38
OPRD1 P41143 1/20 0.37
OPRM1 P35372 2/20 0.34
CHRM4 P08173 1/20 0.34
RORC P51449 1/20 0.33

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
SCHEMBL8704365 0.84 DRD2 (0.42) DRD2SLC6A4UBE2MDCUN1D1CHRM4
SCHEMBL7481470 0.83 HTR1D (0.52)
SCHEMBL8547782 0.83 DRD2 (0.41) DRD2SLC6A4UBE2MDCUN1D1
SCHEMBL8552293 0.80 LMNA (0.42) DRD2SLC6A4
SCHEMBL8548010 0.80 DRD2 (0.40) DRD2SLC6A4CHRM4RORC
SCHEMBL8552355 0.80 DRD2 (0.37) DRD2SLC6A4CHRM4
SCHEMBL8550775 0.79 UBE2M (0.38) DRD2SLC6A4UBE2MDCUN1D1
SCHEMBL8551607 0.78 DRD2 (0.57) DRD2SLC6A4UBE2MDCUN1D1CHRM4
SCHEMBL8548444 0.78 ALDH1A1 (0.39) DRD2SLC6A4UBE2MDCUN1D1OPRD1
SCHEMBL8553071 0.77 KMT2A (0.47)

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