SCHEMBL8551605

SCHEMBL8551605

CCCN1CCC(c2csc3ccc(NC(=O)Nc4cccc(-c5ccccc5)c4)cc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.56
SLC6A4 P31645 2/20 0.56
DRD4 P21917 3/20 0.44
MGLL Q99685 1/20 0.43
CNR1 P21554 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 3/20 0.40
DRD3 P35462 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM4 P08173 1/20 0.39
ALPL P05186 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CHRM3 P20309 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL8703019 0.88 DRD2 (0.53) DRD2SLC6A4KDM4EUBE2MDCUN1D1
SCHEMBL8702974 0.87 DRD2 (0.53) DRD2SLC6A4KDM4EUBE2MDCUN1D1
SCHEMBL8551607 0.83 DRD2 (0.57) DRD2SLC6A4UBE2MDCUN1D1CHRM4
SCHEMBL8551299 0.83 DRD2 (0.52) DRD2SLC6A4CNR1SMN1; SMN2KDM4E
SCHEMBL7481598 0.82 HTR1D (0.57) DRD2
SCHEMBL8547948 0.82 DRD2 (0.56) DRD2SLC6A4DRD4DRD3
SCHEMBL8550541 0.81 DRD2 (0.52) DRD2SLC6A4SMN1; SMN2NPSR1MEN1
SCHEMBL8547062 0.81 DRD2 (0.46) DRD2SLC6A4UBE2MDCUN1D1
SCHEMBL8703834 0.81 DRD2 (0.46) DRD2SLC6A4UBE2MDCUN1D1CHRM3
SCHEMBL8704365 0.80 DRD2 (0.42) DRD2SLC6A4SMN1; SMN2KDM4EUBE2M

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