SCHEMBL8552293

SCHEMBL8552293

CCC(CC)N1CCC(c2csc3ccc(NC(=O)C(C)C)cc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
DRD2 P14416 4/20 0.39
SLC6A4 P31645 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA1A P35348 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 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
SCHEMBL8704365 0.86 DRD2 (0.42) LMNAMAPTDRD2SLC6A4KMT2A
SCHEMBL8548010 0.84 DRD2 (0.40) MAPTDRD2SLC6A4KMT2AMEN1
SCHEMBL8552297 0.83 DRD2 (0.48) DRD2SLC6A4
SCHEMBL8553071 0.82 KMT2A (0.47) LMNAMAPTKMT2AMEN1HSD17B10
SCHEMBL8553184 0.82 RAB9A (0.41) DRD2SLC6A4HTR1DHTR1B
SCHEMBL8552355 0.82 DRD2 (0.37) MAPTDRD2SLC6A4KMT2AMEN1
SCHEMBL8552196 0.81 HTR1D (0.34) MAPTDRD2SLC6A4HTR1DHTR1B
SCHEMBL8552356 0.80 DRD2 (0.39) DRD2SLC6A4
SCHEMBL8553522 0.80 DRD2 (0.35) MAPTDRD2SLC6A4KMT2ACYP2D6
SCHEMBL7489436 0.80 HTR1D (0.60) DRD2HTR1DHTR1B

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