SCHEMBL8550058

SCHEMBL8550058

CCCN(C(=O)Nc1ccc2scc(C3CCN(CC(C)C)CC3)c2c1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.41
SLC6A4 P31645 1/20 0.41
NAMPT P43490 4/20 0.39
UBE2M P61081 3/20 0.35
DCUN1D1 Q96GG9 3/20 0.35
HTR1D P28221 8/20 0.35
HTR1B P28222 8/20 0.35
HTR1A P08908 1/20 0.34
HTR1F P30939 1/20 0.34
TSHR P16473 1/20 0.34
CHRM4 P08173 1/20 0.34
ADRA1A P35348 1/20 0.34
NPY5R Q15761 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
SCHEMBL7489144 0.82 HTR1D (0.56) DRD2HTR1DHTR1BHTR1AHTR1F
SCHEMBL8547695 0.82 DRD2 (0.42) DRD2SLC6A4NAMPT
SCHEMBL8550182 0.81 DRD2 (0.47) DRD2SLC6A4UBE2MDCUN1D1HTR1D
SCHEMBL8552510 0.80 DRD2 (0.40) DRD2SLC6A4NAMPTHTR1DHTR1B
SCHEMBL8551516 0.80 DRD2 (0.40) DRD2SLC6A4UBE2MDCUN1D1HTR1A
SCHEMBL8547871 0.79 HTR1D (0.43) DRD2HTR1DHTR1BHTR1AHTR1F
SCHEMBL8552124 0.79 DRD2 (0.43) DRD2SLC6A4NAMPTHTR1DHTR1A
SCHEMBL8552507 0.79 DRD2 (0.39) DRD2SLC6A4HTR1DHTR1BNPY5R
SCHEMBL8550474 0.78 DRD2 (0.41) DRD2SLC6A4NAMPTHTR1ACHRM4
SCHEMBL8552559 0.78 DRD2 (0.47) DRD2SLC6A4UBE2MDCUN1D1HTR1D

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 3 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
WO-1998015545-A1 NEW SEROTONIN 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed