SCHEMBL8552340

SCHEMBL8552340

CCC(CC)N1CCC(c2coc3ccc(NC(=O)C(C)C)cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.47
HTR2A P28223 9/20 0.47
DRD3 P35462 9/20 0.47
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
NQO2 P16083 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SLC6A4 P31645 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 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
SCHEMBL8552345 0.83 DRD2 (0.54) DRD2HTR2ADRD3SLC6A4
SCHEMBL8547778 0.82 DRD2 (0.41) DRD2HTR2ADRD3MAPTSLC6A4
SCHEMBL8547782 0.80 DRD2 (0.41) DRD2HTR2ADRD3SLC6A4
SCHEMBL8549862 0.80 DRD2 (0.38) DRD2HTR2ADRD3MTNR1AMTNR1B
SCHEMBL7489436 0.80 HTR1D (0.60) DRD2
SCHEMBL8552293 0.80 LMNA (0.42) DRD2LMNAMAPTSLC6A4MEN1
SCHEMBL8550072 0.77 MAPT (0.44) DRD2HTR2ADRD3LMNAMAPT
SCHEMBL8704542 0.77 ALDH1A1 (0.53) DRD2HTR2ADRD3SLC6A4
SCHEMBL8548389 0.75 DRD2 (0.39) DRD2HTR2ADRD3MTNR1AMTNR1B
SCHEMBL8548755 0.74 CA2 (0.43) DRD2HTR2ADRD3MAPTMEN1

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