SCHEMBL7976292

SCHEMBL7976292

CC(C)(O)COC1C=CC=C2Oc3ncccc3C(=CCCN3CCC(O)(c4ccc(Cl)cc4)CC3)C=C21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 6/20 0.37
DRD2 P14416 8/20 0.34
OPRM1 P35372 3/20 0.33
OPRL1 P41146 2/20 0.33
HTR1A P08908 1/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR7 P34969 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2B P41595 1/20 0.32
CCR3 P51677 1/20 0.31

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
SCHEMBL654333 0.93 DRD2 (0.36) CCR1DRD2OPRM1OPRL1HTR1A
SCHEMBL655810 0.92 DRD2 (0.34) CCR1DRD2OPRM1OPRL1HTR1A
SCHEMBL651688 0.91 DRD2 (0.34) CCR1DRD2OPRM1OPRL1HTR1A
SCHEMBL653230 0.90 CCR1 (0.36) CCR1DRD2OPRM1OPRL1HTR1A
SCHEMBL654084 0.90 ADRA2A (0.37) CCR1DRD2OPRM1OPRL1HTR1A
SCHEMBL658012 0.89 CCR1 (0.34) CCR1DRD2OPRM1OPRL1
SCHEMBL7976312 0.89 CCR1 (0.35) CCR1DRD2OPRM1OPRL1HTR1A
SCHEMBL651522 0.89 OPRM1 (0.34) CCR1DRD2OPRM1OPRL1HTR1A
SCHEMBL654456 0.89 CCR1 (0.39) CCR1DRD2OPRM1OPRL1HTR1A
SCHEMBL651918 0.89 DRD2 (0.37) CCR1DRD2OPRM1OPRL1HTR1A

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