SCHEMBL2858209

SCHEMBL2858209

O=C(NCc1ccc(Cl)c(Cl)c1)Oc1cnn(-c2ccc(C(F)(F)F)cc2)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 7/20 0.48
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.44
PTGES O14684 1/20 0.44
P2RX7 Q99572 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
WDR5 P61964 1/20 0.41
TRPC3 Q13507 1/20 0.39
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39

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
SCHEMBL2862714 0.93 TSHR (0.46) CCR1TSHRMAPK1P2RX7SMN1; SMN2
SCHEMBL2852241 0.92 MAPK1 (0.53) CCR1TSHRMAPK1P2RX7SMN1; SMN2
SCHEMBL2859307 0.91 TSHR (0.46) CCR1TSHRMAPK1P2RX7SMN1; SMN2
SCHEMBL2856625 0.90 TSHR (0.48) CCR1TSHRMAPK1P2RX7SMN1; SMN2
SCHEMBL2853334 0.89 CCR1 (0.47) CCR1MAPK1PTGESP2RX7TRPC3
SCHEMBL2856212 0.88 CCR1 (0.47) CCR1TSHRMAPK1P2RX7SMN1; SMN2
SCHEMBL2857994 0.87 MTOR (0.46) CCR1P2RX7
SCHEMBL2856556 0.86 CCR1 (0.54) CCR1
SCHEMBL2859091 0.86 CCR1 (0.46) CCR1MAPK1P2RX7
SCHEMBL2852454 0.85 KDM4E (0.48) CCR1SMN1; SMN2

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed