SCHEMBL8552203

SCHEMBL8552203

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.43
DRD2 P14416 2/20 0.43
SLC6A4 P31645 1/20 0.43
HTR1D P28221 7/20 0.37
HTR1B P28222 5/20 0.37
CHRM2 P08172 1/20 0.37
RAB9A P51151 1/20 0.37
EPHX2 P34913 1/20 0.36
MAPT P10636 1/20 0.36
PRMT3 O60678 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
SCHEMBL8548757 0.88 CCR2 (0.46) CCR2DRD2SLC6A4RAB9AEPHX2
SCHEMBL8553525 0.87 DRD2 (0.43) DRD2SLC6A4HTR1DHTR1BCHRM2
SCHEMBL8550541 0.86 DRD2 (0.52) CCR2DRD2SLC6A4RAB9AEPHX2
SCHEMBL8552196 0.85 HTR1D (0.34) CCR2DRD2SLC6A4HTR1DHTR1B
SCHEMBL8702974 0.84 DRD2 (0.53) CCR2DRD2SLC6A4HTR1DHTR1B
SCHEMBL7483255 0.84 CCR2 (0.58) CCR2DRD2HTR1DHTR1BCHRM2
SCHEMBL8546639 0.83 SMN1; SMN2 (0.48) CCR2DRD2SLC6A4HTR1DHTR1B
SCHEMBL8703019 0.81 DRD2 (0.53) CCR2DRD2SLC6A4RAB9A
SCHEMBL8552297 0.81 DRD2 (0.48) DRD2SLC6A4
SCHEMBL8551164 0.80 DRD2 (0.53) DRD2SLC6A4HTR1DHTR1B

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