SCHEMBL8552316

SCHEMBL8552316

CCN1CCC(c2csc3ccc(NC(=O)c4ccco4)cc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.54
RAB9A P51151 9/20 0.54
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
MAPT P10636 6/20 0.52
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 5/20 0.44
TP53 P04637 5/20 0.44
HSD17B10 Q99714 4/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 2/20 0.44
PKM P14618 2/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.43
DRD2 P14416 1/20 0.43
SLC6A4 P31645 1/20 0.43
NFKB1 P19838 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL8553073 0.90 DRD2 (0.46) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL8549937 0.90 DRD2 (0.46) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL8553071 0.88 KMT2A (0.47) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL8552643 0.83 RAB9A (0.41) RAB9ADRD2SLC6A4
SCHEMBL8723743 0.82 MAPT (0.47) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7479138 0.81 HTR1D (0.59) NPC1RAB9AMEN1KMT2ADRD2
SCHEMBL9094730 0.78 HTR1D (0.58) DRD2
SCHEMBL8547605 0.77 RORC (0.45) DRD2SLC6A4
SCHEMBL8550761 0.76 DRD2 (0.45) NPC1RAB9AMAPTSMN1; SMN2TP53
Phosphoric Acid SCHEMBL7866432 0.76 DRD2 (0.44) MAPTTP53DRD2SLC6A4

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