SCHEMBL7212910

SCHEMBL7212910

COc1ccc2c(c1)/C(=C/CCN1CCC(c3ccc(Cl)cc3)CC1)c1cccnc1CO2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.54
CHRM2 P08172 1/20 0.54
CCR5 P51681 1/20 0.54
DRD2 P14416 6/20 0.40
HTR1A P08908 2/20 0.38
HTR2A P28223 2/20 0.38
DRD3 P35462 2/20 0.38
DRD4 P21917 2/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
CARM1 Q86X55 3/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SLC2A1 P11166 1/20 0.35
MCHR1 Q99705 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
SCHEMBL7212913 1.00 CCR1 (0.54) CCR1CHRM2CCR5DRD2HTR1A
SCHEMBL13620892 0.93 CCR1 (0.52) CCR1CHRM2CCR5DRD2HTR1A
SCHEMBL10288233 0.93 CCR1 (0.53) CCR1CHRM2CCR5DRD2HTR1A
SCHEMBL7211997 0.93 CCR1 (0.47) CCR1CHRM2CCR5DRD2DRD4
SCHEMBL7212000 0.93 CCR1 (0.47) CCR1CHRM2CCR5DRD2DRD4
SCHEMBL14420183 0.92 CCR1 (0.47) CCR1CHRM2CCR5DRD2HTR1A
SCHEMBL10288231 0.90 CCR1 (0.52) CCR1CHRM2CCR5DRD2HTR1A
SCHEMBL13620900 0.90 CCR1 (0.52) CCR1CHRM2CCR5DRD2HTR1A
SCHEMBL12121935 0.90 CCR1 (0.52) CCR1CHRM2CCR5DRD2HTR1A
SCHEMBL10287856 0.90 CCR1 (0.46) CCR1CHRM2CCR5DRD2HTR1A

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