SCHEMBL5961456

SCHEMBL5961456

CN1CCN(c2c(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cnc3c2C(c2ccccc2)=N[N+]3(C)c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.41
CCR5 P51681 1/20 0.41
S1PR1 P21453 4/20 0.40
ADRB2 P07550 1/20 0.40
GPR183 P32249 1/20 0.40
APLNR P35414 1/20 0.40
S1PR5 Q9H228 1/20 0.40
SCN9A Q15858 1/20 0.38
CSF1R P07333 2/20 0.38
PDGFRA P16234 1/20 0.38
FLT4 P35916 1/20 0.38
FLT3 P36888 1/20 0.38
KCNH2 Q12809 1/20 0.38
AR P10275 1/20 0.38
BRAF P15056 2/20 0.38
GRM4 Q14833 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
KDR P35968 4/20 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
SCHEMBL5961503 0.79 CCR2 (0.52) CCR2CCR5S1PR1ADRB2GPR183
Hydrochloric Acid SCHEMBL5961486 0.78 CCR2 (0.51) CCR2CCR5S1PR1ADRB2GPR183
SCHEMBL5961451 0.77 CCR2 (0.46) CCR2CCR5S1PR1ADRB2GPR183
Hydrochloric Acid SCHEMBL5961464 0.77 CCR2 (0.46) CCR2CCR5S1PR1ADRB2GPR183
SCHEMBL5961430 0.74 CCR2 (0.49) CCR2CCR5S1PR1CSF1RPDGFRA
Hydrochloric Acid SCHEMBL5961437 0.74 CCR2 (0.49) CCR2CCR5S1PR1CSF1RPDGFRA
SCHEMBL5961429 0.68 CCR2 (0.47) CCR2CCR5S1PR1CSF1RFLT3
SCHEMBL5961506 0.67 CCR2 (0.58) CCR2CCR5CSF1RFLT4FLT3
Hydrochloric Acid SCHEMBL5961557 0.67 CCR2 (0.57) CCR2CCR5CSF1RFLT4FLT3
SCHEMBL5961476 0.64 CCR2 (0.76) CCR2CCR5S1PR1ADRB2GPR183

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
US-6992086-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-01-31 US disclosed