SCHEMBL29953789

SCHEMBL29953789

Nc1nc(C=O)ccc1OC1CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.37
MCHR1 Q99705 5/20 0.35
POLB P06746 1/20 0.34
S1PR4 O95977 2/20 0.33
RRM2 P31350 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KMO O15229 1/20 0.31
RORC P51449 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
SCHEMBL29951810 0.80 CSNK2A1 (0.36) CCR1MCHR1POLBS1PR4
SCHEMBL29954305 0.78 PARP10 (0.39) CCR1KMORORC
SCHEMBL29957224 0.76 POLB (0.35) CCR1MCHR1POLBS1PR4RRM2
SCHEMBL29950889 0.76 KMO (0.39) CCR1POLBKMORORC
SCHEMBL29952374 0.73 MCHR1 (0.44) MCHR1POLBKMORORC
SCHEMBL29954935 0.72 KAT2B (0.42) RORC
SCHEMBL27963910 0.71 RECQL (0.39) POLB
SCHEMBL29950803 0.70 POLB (0.37) MCHR1POLB
SCHEMBL25937329 0.69 MCHR1 (0.42) CCR1MCHR1POLB
SCHEMBL29951667 0.69 POLB (0.36) POLB

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