SCHEMBL29954846

SCHEMBL29954846

O=Cc1ccnc2c1COCC2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
TNKS2 Q9H2K2 11/20 0.35
WNT3A P56704 10/20 0.35
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30

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
SCHEMBL29956200 0.71 WNT3A (0.32) TNKS2WNT3A
SCHEMBL26818254 0.70 WNT3A (0.36) TNKS2WNT3A
SCHEMBL26836483 0.70 HTR2A (0.37) TNKS2WNT3A
SCHEMBL29935609 0.69 MEN1 (0.37) TRIM24TRIM33
SCHEMBL21955374 0.68 IL1RN (0.33) TNKS2WNT3A
SCHEMBL20189036 0.67 CCR1 (0.38) CCR1CCR5CCR8TRIM24TRIM33
SCHEMBL29936184 0.66 MEN1 (0.37) TRIM24TRIM33
SCHEMBL29953512 0.66 MEN1 (0.37) TRIM24TRIM33
SCHEMBL20897927 0.63 WNT3A (0.33) TNKS2WNT3A
SCHEMBL31133463 0.63 WNT3A (0.33) TNKS2WNT3A

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed