SCHEMBL8553349

SCHEMBL8553349

CCCCN1CCC(c2csc3ccc(NC(=O)C4CCCCCC4)cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
SLC6A4 P31645 1/20 0.47
KDM4E B2RXH2 2/20 0.43
EPHX2 P34913 1/20 0.43
STK17B O94768 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CHRNA7 P36544 4/20 0.41
KCNH2 Q12809 4/20 0.41
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HTR1D P28221 1/20 0.40
ACKR3 P25106 2/20 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
SCHEMBL8703019 0.84 DRD2 (0.53) DRD2SLC6A4KDM4ENPC1
SCHEMBL8552559 0.83 DRD2 (0.47) DRD2SLC6A4ALDH1A1HTR1D
SCHEMBL8550182 0.83 DRD2 (0.47) DRD2SLC6A4HTR1D
SCHEMBL8552297 0.82 DRD2 (0.48) DRD2SLC6A4
SCHEMBL8702974 0.81 DRD2 (0.53) DRD2SLC6A4KDM4ENPC1KCNH2
SCHEMBL7480397 0.81 HTR1D (0.61) DRD2HTR1D
SCHEMBL8546540 0.81 DRD2 (0.51) DRD2SLC6A4KDM4EEPHX2
SCHEMBL8546639 0.81 SMN1; SMN2 (0.48) DRD2SLC6A4KDM4EEPHX2ALDH1A1
SCHEMBL8553277 0.80 DRD2 (0.49) DRD2SLC6A4KDM4EALDH1A1HPGD
SCHEMBL8708757 0.80 DRD2 (0.53) DRD2SLC6A4ALDH1A1LMNATDP1

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 2 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
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed