SCHEMBL7976310

SCHEMBL7976310

CC(C)(CO)Oc1cccc2c1C/C(=C/CCN1CCC(O)(c3ccc(Cl)cc3)CC1)c1cccnc1O2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.38
DRD2 P14416 11/20 0.36
DRD3 P35462 2/20 0.36
HTR2A P28223 2/20 0.35
HTR1A P08908 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR7 P34969 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL7976315 1.00 CCR1 (0.38) CCR1DRD2DRD3HTR2AHTR1A
SCHEMBL651917 0.91 DRD2 (0.39) CCR1DRD2DRD3HTR1ADRD1
SCHEMBL651919 0.91 DRD2 (0.39) CCR1DRD2DRD3HTR1ADRD1
SCHEMBL7976289 0.90 CCR1 (0.40) CCR1DRD2DRD3HTR2AHTR1A
SCHEMBL7976295 0.90 CCR1 (0.40) CCR1DRD2DRD3HTR2AHTR1A
SCHEMBL653231 0.90 DRD2 (0.42) CCR1DRD2DRD3HTR2AHTR1A
SCHEMBL653229 0.90 DRD2 (0.42) CCR1DRD2DRD3HTR2AHTR1A
SCHEMBL655809 0.89 SSTR5 (0.41) CCR1DRD2DRD3HTR2AHTR1A
SCHEMBL655811 0.89 SSTR5 (0.41) CCR1DRD2DRD3HTR2AHTR1A
SCHEMBL7972689 0.89 DRD2 (0.41) CCR1DRD2DRD3HTR1ADRD1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329385-B1 ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, VIRAL DISEASES AND GASTROINTESTINAL DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2001-12-11 US disclosed