SCHEMBL2905340

SCHEMBL2905340

COCC1CCC(O)CN1CCCCN1CCN(C(=O)/C=C/c2ccc(Cl)c(F)c2)CCC1=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.37
GPR183 P32249 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACHE P22303 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2902946 0.93 CCR2 (0.43) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2902944 0.93 CCR2 (0.43) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2899153 0.91 CCR2 (0.39) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2902744 0.89 CCR2 (0.40) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2899720 0.87 CCR2 (0.35) CCR2GPR183L3MBTL1ACHENPC1
SCHEMBL2897127 0.84 CCR2 (0.45) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2904785 0.83 CCR2 (0.40) CCR2GPR183
SCHEMBL2903215 0.82 GPR183 (0.42) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2896565 0.82 GPR183 (0.41) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2897074 0.82 CCR2 (0.46) CCR2GPR183NPC1RAB9ATDP1

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-2010506-B1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-04 EP disclosed