SCHEMBL14420129

SCHEMBL14420129

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.39
▸ OPRL1 P41146 1/20 0.39
▸ CCR1 P32246 3/20 0.37
▸ DRD2 P14416 6/20 0.36
▸ DRD3 P35462 3/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ SIGMAR1 Q99720 3/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ LMNA P02545 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
SCHEMBL12121744 0.84 DRD2 (0.39) OPRM1CCR1DRD2DRD3DRD4
SCHEMBL12121691 0.84 CCR1 (0.41) OPRM1OPRL1CCR1DRD2DRD3
SCHEMBL10288264 0.83 CCR3 (0.38) CCR1DRD2DRD3
SCHEMBL13824277 0.82 CCR1 (0.40) OPRM1OPRL1CCR1DRD2DRD3
SCHEMBL14420162 0.82 CCR1 (0.54) OPRM1OPRL1CCR1DRD2DRD3
SCHEMBL13824278 0.82 CCR1 (0.38) OPRM1OPRL1CCR1DRD2ADRA1A
SCHEMBL13824486 0.82 CCR1 (0.39) OPRM1OPRL1CCR1DRD2ADRA1A
SCHEMBL12121740 0.80 CCR1 (0.37) OPRM1OPRL1CCR1DRD2ADRA1A
SCHEMBL13824271 0.79 CCR1 (0.38) OPRM1CCR1DRD2DRD3DRD4
SCHEMBL14579853 0.78 CCR1 (0.37) OPRM1OPRL1CCR1DRD2DRD3

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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