SCHEMBL8552355

SCHEMBL8552355

CCC(CC)N1CCC(c2csc3ccc(NC(=O)Nc4ccccc4C=O)cc23)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.37
SLC6A4 P31645 1/20 0.37
MAPT P10636 10/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 3/20 0.34
POLB P06746 1/20 0.34
BLM P54132 1/20 0.34
RAB9A P51151 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM4 P08173 1/20 0.33
NPY2R P49146 1/20 0.32
MTTP P55157 1/20 0.32
CMA1 P23946 1/20 0.32
REV1 Q9UBZ9 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
SCHEMBL8704365 0.88 DRD2 (0.42) DRD2SLC6A4MAPTTP53POLB
SCHEMBL7481469 0.83 HTR1D (0.52) DRD2HTR1DHTR1B
SCHEMBL8547778 0.83 DRD2 (0.41) DRD2SLC6A4MAPTRAB9ANPC1
SCHEMBL8552293 0.82 LMNA (0.42) DRD2SLC6A4MAPTNPSR1MEN1
SCHEMBL8548010 0.80 DRD2 (0.40) DRD2SLC6A4MAPTTP53POLB
SCHEMBL8552356 0.80 DRD2 (0.39) DRD2SLC6A4CHRM4
SCHEMBL8552196 0.79 HTR1D (0.34) DRD2SLC6A4MAPTCHRM4HTR1D
SCHEMBL8553071 0.77 KMT2A (0.47) MAPTTP53RAB9ASMN1; SMN2GAA
SCHEMBL8708863 0.77 UBE2M (0.47)
SCHEMBL8553038 0.75 UBE2M (0.42) MAPTTP53POLBBLMRAB9A

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