SCHEMBL30096050

SCHEMBL30096050

Cc1ccnc(-c2cc(CCC(=O)O)ccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.53
CCR5 P51681 1/20 0.53
CCR8 P51685 1/20 0.53
FFAR1 O14842 9/20 0.48
FFAR4 Q5NUL3 5/20 0.45
FAAH O00519 1/20 0.44
CES1 P23141 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TBXAS1 P24557 1/20 0.42
SYK P43405 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL17773802 1.00 CCR1 (0.53) CCR1CCR5CCR8FFAR1FFAR4
SCHEMBL1411932 0.91 SMN1; SMN2 (0.50) CCR1CCR5CCR8FFAR1FFAR4
SCHEMBL7962910 0.90 FFAR1 (0.51) FFAR1TBXAS1
SCHEMBL17773809 0.90 FAAH (0.52) CCR1CCR5CCR8FAAHCES1
SCHEMBL17773813 0.88 FAAH (0.54) CCR1CCR5CCR8FAAHCES1
SCHEMBL17773808 0.88 FAAH (0.54) CCR1CCR5CCR8FAAHCES1
SCHEMBL17773810 0.88 FAAH (0.54) CCR1CCR5CCR8FAAHCES1
SCHEMBL17773814 0.88 FAAH (0.54) CCR1CCR5CCR8FAAHCES1
SCHEMBL17773831 0.88 FAAH (0.54) CCR1CCR5CCR8FAAHCES1
SCHEMBL12131333 0.84 CCR1 (0.57) CCR1CCR5CCR8FFAR1FAAH

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
CN-115397829-A Compositions and systems for intercellular and intracellular proximity-based labeling 普林斯顿大学理事会 2022-11-25 CN disclosed