SCHEMBL8551668

SCHEMBL8551668

CC(C)CN1CCC(c2coc3ccc(NC(=O)Nc4ccc(OC(C)C)cc4)cc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 2/20 0.44
KCNH2 Q12809 1/20 0.44
DRD2 P14416 15/20 0.42
HTR2A P28223 15/20 0.42
DRD3 P35462 15/20 0.42
MTNR1A P48039 1/20 0.39
CA2 P00918 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL7484230 0.82 HTR1D (0.55) DRD2
SCHEMBL8547100 0.81 DRD2 (0.43) DRD2HTR2ADRD3
SCHEMBL8550072 0.78 MAPT (0.44) DRD2HTR2ADRD3
SCHEMBL8547695 0.78 DRD2 (0.42) DRD2HTR2ADRD3NAMPT
SCHEMBL8703395 0.77 DRD2 (0.61) DRD2HTR2ADRD3
SCHEMBL8549816 0.76 L3MBTL1 (0.49)
SCHEMBL8704542 0.76 ALDH1A1 (0.53) DRD2HTR2ADRD3
SCHEMBL8707882 0.75 DRD2 (0.54) DRD2HTR2ADRD3
SCHEMBL8703719 0.75 DRD2 (0.53) DRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL8549247 0.74 TP53 (0.46) 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