SCHEMBL18601633

SCHEMBL18601633

CC(C)NC(=O)N(Cc1ccc(Cl)cc1)C1CCN(CC/C=C2/C3=CC=CNC3=COc3ccc(C(C)(C)O)cc32)C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.34
▸ MCHR1 Q99705 2/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CCR2 P41597 1/20 0.32
▸ UBE2M P61081 6/20 0.31
▸ DCUN1D1 Q96GG9 6/20 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
SCHEMBL18601634 1.00 CCR1 (0.34) CCR1MCHR1KCNH2CCR2UBE2M
SCHEMBL5487866 0.85 CCR1 (0.33) CCR1MCHR1KCNH2
SCHEMBL5487869 0.85 CCR1 (0.33) CCR1MCHR1KCNH2
SCHEMBL1323470 0.83 CCR1 (0.35) CCR1MCHR1KCNH2
SCHEMBL1323469 0.83 CCR1 (0.35) CCR1MCHR1KCNH2
SCHEMBL1323821 0.82 CCR1 (0.35) CCR1
SCHEMBL1323820 0.82 CCR1 (0.35) CCR1
SCHEMBL6362657 0.80 CCR1 (0.38) CCR1KCNH2
SCHEMBL656376 0.79 CCR1 (0.57) CCR1MCHR1UBE2MDCUN1D1
SCHEMBL656375 0.79 CCR1 (0.57) CCR1MCHR1UBE2MDCUN1D1

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
EP-1688418-B1 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARM INC (US) 2017-03-15 — — EP disclosed
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