SCHEMBL29952374

SCHEMBL29952374

Nc1ccc(OC2CC2)c(C=O)n1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.44
POLB P06746 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
KMO O15229 1/20 0.31
RORC P51449 1/20 0.31
SCD O00767 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
SCHEMBL29957162 0.80 PDE4A (0.44) MCHR1KMORORCSCD
SCHEMBL29953999 0.80 CSNK2A1 (0.36) MCHR1POLBSCD
SCHEMBL29950835 0.76 KMO (0.42) KMORORC
SCHEMBL29956096 0.76 POLB (0.35) MCHR1POLBRORCSCD
SCHEMBL31508069 0.74 MCHR1 (0.51) MCHR1NOS3NOS1NOS2RORC
SCHEMBL29953789 0.73 CCR1 (0.37) MCHR1POLBKMORORC
SCHEMBL29957854 0.72 SCD (0.36) MCHR1POLBKMOSCD
SCHEMBL29951510 0.72 KAT2B (0.42) RORC
SCHEMBL29955753 0.71 SCD (0.42) MCHR1POLBKMOSCD
SCHEMBL29953815 0.69 POLB (0.39) POLBKMO

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