SCHEMBL18633617

SCHEMBL18633617

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.41
▸ CHRM2 P08172 1/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ F10 P00742 3/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ DRD2 P14416 1/20 0.30
▸ DRD1 P21728 1/20 0.30
▸ DRD5 P21918 1/20 0.30

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
SCHEMBL18895961 0.90 CCR1 (0.41) CCR1CHRM2CCR5MCHR1
SCHEMBL15478324 0.88 CCR1 (0.39) CCR1CHRM2CCR5
SCHEMBL18896016 0.87 CCR1 (0.40) CCR1CHRM2CCR5
SCHEMBL18895968 0.86 CCR1 (0.40) CCR1CHRM2CCR5MCHR1
SCHEMBL18633615 0.85 CCR1 (0.39) CCR1CHRM2CCR5
SCHEMBL18896015 0.85 CCR1 (0.38) CCR1CHRM2CCR5
SCHEMBL18633616 0.85 CCR1 (0.36) CCR1CHRM2CCR5MCHR1
SCHEMBL18633821 0.84 CCR1 (0.43) CCR1CHRM2CCR5
SCHEMBL653480 0.83 CCR1 (0.60) CCR1CHRM2CCR5F10LMNA
SCHEMBL653479 0.83 CCR1 (0.60) CCR1CHRM2CCR5F10LMNA

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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