SCHEMBL5329762

SCHEMBL5329762

Cc1c[nH]c2c([C@H](C)CF)ccnc12

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31

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
SCHEMBL5433974 0.82
SCHEMBL9942573 0.73 CCR1 (0.46) CCR1CCR5CCR8
SCHEMBL23790563 0.64 CCR1 (0.31) CCR1CCR5CCR8
SCHEMBL25636036 0.64 FFAR2 (0.37)
SCHEMBL23133692 0.59 CCNK (0.43)
SCHEMBL25519645 0.58 CCR1 (0.46) CCR1CCR5CCR8
SCHEMBL21652566 0.58 CCR1 (0.45) CCR1CCR5CCR8
SCHEMBL18820441 0.58 CHRM4 (0.32)
SCHEMBL17828007 0.58 UHRF1 (0.43) CCR1CCR5CCR8
SCHEMBL1984578 0.58 CCR1 (0.42) CCR1CCR5CCR8

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
WO-2007133756-A2 CRF1 RECEPTOR LIGANDS COMPRISING HETEROARYL FUSED BICYCLES NEUROGEN CORPORATION (US) 2007-11-22 WO disclosed