SCHEMBL8548758

SCHEMBL8548758

CC(C)N1CCC(c2coc3ccc(NC(=O)N(c4ccccc4)C(C)C)cc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 0.40
HTR2A P28223 17/20 0.40
DRD3 P35462 17/20 0.40
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.37
NPY5R Q15761 1/20 0.37

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
SCHEMBL8704542 0.85 ALDH1A1 (0.53) DRD2HTR2ADRD3ALDH1A1
SCHEMBL8549417 0.84 DRD2 (0.39) DRD2HTR2ADRD3ALDH1A1
SCHEMBL7489592 0.82 HTR1D (0.54)
SCHEMBL8548444 0.82 ALDH1A1 (0.39) DRD2ALDH1A1TP53
SCHEMBL8710324 0.80 ALDH1A1 (0.43) DRD2HTR2ADRD3ALDH1A1
SCHEMBL8547782 0.78 DRD2 (0.41) DRD2HTR2ADRD3
SCHEMBL8548755 0.78 CA2 (0.43) DRD2HTR2ADRD3ALDH1A1TP53
SCHEMBL8547950 0.76 DRD2 (0.57) DRD2HTR2ADRD3
SCHEMBL8549413 0.76 ALDH1A1 (0.40) DRD2HTR2ADRD3ALDH1A1TP53
SCHEMBL8552230 0.75 DRD2 (0.41) DRD2HTR2ADRD3

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