SCHEMBL19337900

SCHEMBL19337900

CO[C@H]1COCC[C@H]1N[C@@H]1CC2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 1.00
CYP3A4 P08684 1/20 0.80
KCNH2 Q12809 1/20 0.79

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
SCHEMBL15319768 1.00 CCR2 (1.00) CCR2CYP3A4KCNH2
SCHEMBL15320174 1.00 CCR2 (1.00) CCR2CYP3A4KCNH2
SCHEMBL15320681 1.00 CCR2 (1.00) CCR2CYP3A4KCNH2
SCHEMBL16577001 1.00 CCR2 (1.00) CCR2CYP3A4KCNH2
SCHEMBL16577088 1.00 CCR2 (1.00) CCR2CYP3A4KCNH2
SCHEMBL19337815 1.00 CCR2 (1.00) CCR2CYP3A4KCNH2
SCHEMBL15320653 1.00 CCR2 (1.00) CCR2CYP3A4KCNH2
SCHEMBL15319999 1.00 CCR2 (1.00) CCR2CYP3A4KCNH2
Succinic Acid SCHEMBL15408481 0.96 CCR2 (0.92) CCR2CYP3A4KCNH2
SCHEMBL15424040 0.95 CCR2 (0.91) CCR2CYP3A4KCNH2

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-2834234-B1 FUSED CYCLOPENTYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2017-09-13 EP disclosed