SCHEMBL14420162

SCHEMBL14420162

C=C1COc2ccc(C(C)(C)O)cc2C(=C/CCN2CCC(O)(c3ccc(Cl)cc3)CC2)/C1=C/C=C\C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 4/20 0.54
▸ DRD2 P14416 8/20 0.38
▸ OPRM1 P35372 6/20 0.37
▸ ADRA2A P08913 3/20 0.36
▸ DRD4 P21917 3/20 0.36
▸ SLC6A4 P31645 3/20 0.36
▸ OPRL1 P41146 3/20 0.36
▸ HRH2 P25021 2/20 0.36
▸ ADRA1A P35348 2/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ SCN5A Q14524 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ADRB2 P07550 2/20 0.36
▸ OPRD1 P41143 2/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL12121691 0.88 CCR1 (0.41) CCR1DRD2OPRM1DRD4SLC6A4
SCHEMBL13824277 0.87 CCR1 (0.40) CCR1DRD2OPRM1ADRA2ADRD4
SCHEMBL12121744 0.85 DRD2 (0.39) CCR1DRD2OPRM1ADRA2ADRD4
SCHEMBL13824486 0.85 CCR1 (0.39) CCR1DRD2OPRM1OPRL1ADRA1A
SCHEMBL13824278 0.83 CCR1 (0.38) CCR1DRD2OPRM1OPRL1ADRA1A
SCHEMBL13824271 0.83 CCR1 (0.38) CCR1DRD2OPRM1ADRA2ADRD4
SCHEMBL652678 0.83 CCR1 (0.64) CCR1DRD2OPRM1ADRA2ADRD4
SCHEMBL12121740 0.82 CCR1 (0.37) CCR1DRD2OPRM1OPRL1ADRA1A
SCHEMBL14579853 0.82 CCR1 (0.37) CCR1DRD2OPRM1ADRA2ADRD4
SCHEMBL14420129 0.82 OPRM1 (0.39) CCR1DRD2OPRM1DRD4OPRL1

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-7271176-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-09-18 — — US disclosed
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