SCHEMBL5319191

SCHEMBL5319191

O=C(C=CN1CCC(C(CCl)N2CCC(c3ccc(Cl)cc3)CC2)CC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 8/20 0.38
CCR2 P41597 1/20 0.38
MGLL Q99685 1/20 0.38
PRCP P42785 1/20 0.38
ADRA2A P08913 1/20 0.36
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
ADRA1B P35368 1/20 0.36
P2RY14 Q15391 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
DRD2 P14416 1/20 0.36
USP5 P45974 1/20 0.36

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
SCHEMBL5319196 0.80 CCR2 (0.56) CCR2
SCHEMBL5315276 0.78 CCR2 (0.44) CCR1CCR2DRD2
SCHEMBL5325878 0.70 CCR1 (0.44) CCR1CCR2
SCHEMBL5264815 0.70 CCR2 (0.44) CCR2USP5
SCHEMBL5322924 0.68 CCR2 (0.37) CCR2ADRA2ADRD1DRD5ADRA1B
SCHEMBL5325882 0.67 CCR1 (0.36) CCR1CCR2ADRA2ADRD1DRD5
SCHEMBL5333448 0.64 TACR1 (0.36) CCR2ADRA2ADRD1DRD5ADRA1B
SCHEMBL2159557 0.64 CCR1 (0.81) CCR1
SCHEMBL22688514 0.63 P2RY14 (0.57) ADRA2ADRD1DRD5ADRA1BP2RY14
SCHEMBL5315280 0.62 CCR2 (0.64) CCR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802602-A1 SUBSTITUTED DIPIPERDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-04 EP disclosed
WO-2006036527-A1 SUBSTITUTED DIPIPERDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 WO disclosed