SCHEMBL18633615

SCHEMBL18633615

CC(C)(O)c1ccc2c(c1)/C(=C/CCN1CC[C@H](N(Cc3ccc(Cl)cc3)C(=O)NC3CCCCC3)C1)C1=C(CO2)NCC=C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.39
▸ CTNNB1 P35222 16/20 0.33
▸ BCL9 O00512 14/20 0.33
▸ CHRM2 P08172 1/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ UBE2M P61081 1/20 0.31
▸ DCUN1D1 Q96GG9 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
SCHEMBL18895968 0.92 CCR1 (0.40) CCR1CHRM2CCR5UBE2MDCUN1D1
SCHEMBL18896016 0.91 CCR1 (0.40) CCR1CHRM2CCR5UBE2MDCUN1D1
SCHEMBL15478324 0.91 CCR1 (0.39) CCR1CTNNB1BCL9CHRM2CCR5
SCHEMBL18896015 0.90 CCR1 (0.38) CCR1CHRM2CCR5
SCHEMBL18633616 0.86 CCR1 (0.36) CCR1CHRM2CCR5
SCHEMBL18895961 0.85 CCR1 (0.41) CCR1CHRM2CCR5
SCHEMBL18633617 0.85 CCR1 (0.41) CCR1CHRM2CCR5
SCHEMBL654666 0.85 CCR1 (0.56) CCR1CTNNB1BCL9CHRM2CCR5
SCHEMBL654665 0.85 CCR1 (0.56) CCR1CTNNB1BCL9CHRM2CCR5
SCHEMBL18633821 0.83 CCR1 (0.43) CCR1CHRM2CCR5

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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