SCHEMBL14420037

SCHEMBL14420037

COc1ccc2c(c1)/C(=C/CCN1CCC(O)(c3ccccc3Cl)CC1)c1cccnc1CO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.53
▸ CHRM2 P08172 1/20 0.47
▸ CCR5 P51681 1/20 0.47
▸ TBXA2R P21731 3/20 0.37
▸ HRH1 P35367 5/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ PKLR P30613 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL10287527 0.89 CCR1 (0.58) CCR1CHRM2CCR5TBXA2RHRH1
SCHEMBL10287667 0.89 CCR1 (0.54) CCR1CHRM2CCR5TBXA2RHRH1
SCHEMBL10287959 0.89 CCR1 (0.54) CCR1CHRM2CCR5TBXA2RHRH1
SCHEMBL10287974 0.89 CCR1 (0.56) CCR1CHRM2CCR5TBXA2RHRH1
SCHEMBL7210846 0.89 CCR1 (0.63) CCR1CHRM2CCR5HRH1ALDH1A1
SCHEMBL7210849 0.89 CCR1 (0.63) CCR1CHRM2CCR5HRH1ALDH1A1
SCHEMBL10287550 0.88 CCR1 (0.51) CCR1CHRM2CCR5TBXA2RHRH1
SCHEMBL12121529 0.88 CCR1 (0.56) CCR1CHRM2CCR5TBXA2RHRH1
SCHEMBL12121687 0.88 CCR1 (0.53) CCR1CHRM2CCR5TBXA2RHRH1
SCHEMBL10287960 0.87 CCR1 (0.54) CCR1CHRM2CCR5TBXA2RHRH1

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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