SCHEMBL8547871

SCHEMBL8547871

CC(C)CN1CCC(c2csc3ccc(NC(=O)c4ccc(N(C)C)cc4)cc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 13/20 0.43
ACKR3 P25106 2/20 0.41
HTR1B P28222 10/20 0.41
CHRM2 P08172 1/20 0.41
DRD2 P14416 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MCL1 Q07820 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1F P30939 1/20 0.40
KCNK3 O14649 1/20 0.39
TNF P01375 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
RAB9A P51151 1/20 0.38
MAPK1 P28482 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
SCHEMBL7490206 0.82 HTR1D (0.65) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL8552657 0.81 L3MBTL1 (0.49) HTR1DHTR1BALDH1A1MAPTHTR1A
SCHEMBL8552124 0.81 DRD2 (0.43) HTR1DDRD2ALDH1A1MAPTKDM4E
SCHEMBL8550058 0.79 DRD2 (0.41) HTR1DHTR1BDRD2HTR1AHTR1F
SCHEMBL8704937 0.77 DRD2 (0.44) DRD2ALDH1A1MAPTLMNATP53
SCHEMBL8552510 0.77 DRD2 (0.40) HTR1DHTR1BDRD2HTR1A
SCHEMBL8547605 0.76 RORC (0.45) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL8552507 0.75 DRD2 (0.39) HTR1DHTR1BDRD2ALDH1A1MAPT
SCHEMBL8551516 0.75 DRD2 (0.40) DRD2HTR1A
SCHEMBL8548938 0.75 HTR1D (0.63) HTR1DACKR3HTR1BCHRM2DRD2

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