SCHEMBL8548757

SCHEMBL8548757

C=CCCCCNC(=O)Nc1ccc2scc(C3CCN(CCCCC)CC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.46
DRD2 P14416 1/20 0.42
SLC6A4 P31645 1/20 0.42
EPHX2 P34913 1/20 0.39
CCR3 P51677 3/20 0.38
EPHX1 P07099 1/20 0.38
RAB9A P51151 1/20 0.38
HTR3A P46098 2/20 0.38
PYGL P06737 1/20 0.38
MAPT P10636 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
SCHEMBL8550541 0.89 DRD2 (0.52) CCR2DRD2SLC6A4EPHX2EPHX1
SCHEMBL8552203 0.88 CCR2 (0.43) CCR2DRD2SLC6A4EPHX2RAB9A
SCHEMBL8553059 0.87 DRD2 (0.42) DRD2SLC6A4EPHX2RAB9AMAPT
SCHEMBL7487120 0.84 CCR2 (0.61) CCR2DRD2
SCHEMBL8702974 0.83 DRD2 (0.53) CCR2DRD2SLC6A4CCR3RAB9A
SCHEMBL8546639 0.82 SMN1; SMN2 (0.48) CCR2DRD2SLC6A4EPHX2EPHX1
SCHEMBL8551299 0.80 DRD2 (0.52) CCR2DRD2SLC6A4CCR3EPHX1
SCHEMBL8703019 0.80 DRD2 (0.53) CCR2DRD2SLC6A4CCR3RAB9A
SCHEMBL8552297 0.80 DRD2 (0.48) DRD2SLC6A4
SCHEMBL8550206 0.80 DRD2 (0.47) DRD2SLC6A4RAB9A

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