SCHEMBL13074448

SCHEMBL13074448

C=C(N1CCc2ncc(C(F)(F)F)cc2C1)C1(CC2CC2)CCN(Cc2ccc3sc(=O)[nH]c3c2)C1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 18/20 0.35
▸ KCNH2 Q12809 10/20 0.35
▸ CCR1 P32246 1/20 0.32

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
SCHEMBL1119340 0.93 CCR2 (0.40) CCR2KCNH2CCR1
SCHEMBL13074450 0.87 CCR2 (0.37) CCR2KCNH2CCR1
SCHEMBL13011454 0.83 CCR2 (0.38) CCR2KCNH2CCR1
SCHEMBL1119775 0.81 CCR2 (0.41) CCR2KCNH2CCR1
SCHEMBL1119354 0.80 CCR2 (0.41) CCR2KCNH2CCR1
SCHEMBL13074570 0.80 KCNH2 (0.41) CCR2KCNH2CCR1
SCHEMBL13074812 0.79 CCR2 (0.37) CCR2KCNH2
SCHEMBL1119683 0.77 SIGMAR1 (0.42) CCR2KCNH2CCR1
SCHEMBL1119323 0.77 CCR2 (0.44) CCR2KCNH2CCR1
SCHEMBL13074452 0.77 CCR2 (0.34) CCR2KCNH2CCR1

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
WO-2010129843-A1 DIHYDRONAPHTHYRIDINYL AND RELATED COMPOUNDS FOR USE IN TREATING OPHTHALMOLOGICAL DISORDERS CYTOPATHFINDER, INC. (JP) 2010-11-11 — — WO disclosed
WO-2009076512-A1 CARBOXAMIDΞ COMPOUNDS AND THEIR USE AS CHEMOKINE RECEPTOR AGONISTS EPIX DELAWARE, INC. (US) 2009-06-18 — — WO disclosed
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