SCHEMBL8551164

SCHEMBL8551164

CCC=CCC(=O)Nc1ccc2scc(C3CCN(CCC)CC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.53
SLC6A4 P31645 3/20 0.53
HTR1D P28221 10/20 0.43
HTR1B P28222 9/20 0.43
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
BCHE P06276 1/20 0.36

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
SCHEMBL7476269 0.81 HTR1D (0.67) DRD2HTR1DHTR1B
SCHEMBL8551462 0.81 DRD2 (0.53) DRD2SLC6A4
SCHEMBL7476264 0.81 HTR1D (0.67) DRD2HTR1DHTR1B
SCHEMBL8551459 0.81 DRD2 (0.53) DRD2SLC6A4
SCHEMBL8552203 0.80 CCR2 (0.43) DRD2SLC6A4HTR1DHTR1B
SCHEMBL8553525 0.80 DRD2 (0.43) DRD2SLC6A4HTR1DHTR1BSMN1; SMN2
SCHEMBL8550541 0.79 DRD2 (0.52) DRD2SLC6A4SMN1; SMN2NPSR1MEN1
SCHEMBL8551607 0.79 DRD2 (0.57) DRD2SLC6A4
SCHEMBL8551605 0.78 DRD2 (0.56) DRD2SLC6A4SMN1; SMN2NPSR1MEN1
SCHEMBL8550557 0.77 DRD2 (0.43) DRD2SLC6A4HTR1DHTR1BSMN1; SMN2

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