SCHEMBL7211997

SCHEMBL7211997

COc1ccc2c(c1)/C(=C/CCN1CCC(c3ccccc3)CC1)c1cccnc1CO2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.47
CHRM2 P08172 1/20 0.47
CCR5 P51681 1/20 0.47
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
DRD2 P14416 3/20 0.40
TBXA2R P21731 2/20 0.39
HRH3 Q9Y5N1 2/20 0.38
APP P05067 1/20 0.38
HRH1 P35367 2/20 0.38
DRD4 P21917 1/20 0.38
OPRM1 P35372 1/20 0.37

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
SCHEMBL7212000 1.00 CCR1 (0.47) CCR1CHRM2CCR5KDM4EHTT
SCHEMBL7212910 0.93 CCR1 (0.54) CCR1CHRM2CCR5KDM4EHTT
SCHEMBL14420183 0.93 CCR1 (0.47) CCR1CHRM2CCR5DRD2TBXA2R
SCHEMBL7212913 0.93 CCR1 (0.54) CCR1CHRM2CCR5KDM4EHTT
SCHEMBL10287856 0.91 CCR1 (0.46) CCR1CHRM2CCR5KDM4EHTT
SCHEMBL7207268 0.89 CCR1 (0.49) CCR1CHRM2CCR5KDM4ETBXA2R
SCHEMBL7207266 0.89 CCR1 (0.49) CCR1CHRM2CCR5KDM4ETBXA2R
SCHEMBL13824264 0.89 CCR1 (0.47) CCR1CHRM2CCR5KDM4EDRD2
SCHEMBL13824388 0.89 CCR1 (0.46) CCR1CHRM2CCR5KDM4EDRD2
SCHEMBL10287855 0.89 CCR1 (0.46) CCR1CHRM2CCR5KDM4EDRD2

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