SCHEMBL7210953

SCHEMBL7210953

Oc1ccc2c(c1)/C(=C\CCBr)c1cccnc1CO2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CCR5 P51681 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TBXA2R P21731 1/20 0.37
▸ TBXAS1 P24557 1/20 0.36
▸ HRH1 P35367 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
SCHEMBL654983 1.00 CCR1 (0.42) CCR1CHRM2CCR5ALDH1A1MAPT
SCHEMBL654984 1.00 CCR1 (0.42) CCR1CHRM2CCR5ALDH1A1MAPT
SCHEMBL995811 0.86 HTR2B (0.46) CCR1CHRM2CCR5ALDH1A1MAPT
SCHEMBL995810 0.86 HTR2B (0.46) CCR1CHRM2CCR5ALDH1A1MAPT
SCHEMBL7206976 0.86 HTR2B (0.46) CCR1CHRM2CCR5ALDH1A1MAPT
SCHEMBL15478315 0.84 CCR1 (0.46) CCR1CHRM2CCR5TBXA2RTBXAS1
SCHEMBL654072 0.84 CCR1 (0.50) CCR1CHRM2CCR5TBXA2RTBXAS1
SCHEMBL436923 0.84 CCR1 (0.59) CCR1CHRM2CCR5TBXA2RHRH1
SCHEMBL436922 0.84 CCR1 (0.59) CCR1CHRM2CCR5TBXA2RHRH1
SCHEMBL654071 0.84 CCR1 (0.50) CCR1CHRM2CCR5TBXA2RTBXAS1

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-6613905-B1 Treating or preventing a disease associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2003-09-02 — — US disclosed
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