SCHEMBL8553825

SCHEMBL8553825

CCCCN1CCC(c2csc3ccc(NC(=O)Nc4ccccc4C(C)CC)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
SLC6A4 P31645 1/20 0.46
UBE2M P61081 4/20 0.37
DCUN1D1 Q96GG9 4/20 0.37
CCR2 P41597 1/20 0.37
CCR3 P51677 2/20 0.36
CHRM3 P20309 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL8703019 0.86 DRD2 (0.53) DRD2SLC6A4UBE2MDCUN1D1CCR2
SCHEMBL7482535 0.84 HTR1D (0.53) DRD2CCR2
SCHEMBL8702974 0.84 DRD2 (0.53) DRD2SLC6A4UBE2MDCUN1D1CCR2
SCHEMBL8550182 0.82 DRD2 (0.47) DRD2SLC6A4UBE2MDCUN1D1
SCHEMBL8552297 0.81 DRD2 (0.48) DRD2SLC6A4
SCHEMBL8703834 0.81 DRD2 (0.46) DRD2SLC6A4UBE2MDCUN1D1CCR2
SCHEMBL5311617 0.80 CCR3 (0.38) DRD2UBE2MDCUN1D1CCR2CCR3
SCHEMBL8553830 0.80 DRD2 (0.46) DRD2SLC6A4UBE2MDCUN1D1
SCHEMBL8546639 0.78 SMN1; SMN2 (0.48) DRD2SLC6A4UBE2MDCUN1D1CCR2
SCHEMBL8547062 0.78 DRD2 (0.46) DRD2SLC6A4UBE2MDCUN1D1CCR2

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