SCHEMBL24211554

SCHEMBL24211554

O=c1ccnc(CCCCCCCO)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.42
KDM4E B2RXH2 1/20 0.39
TBXAS1 P24557 2/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
P2RY12 Q9H244 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
DAO P14920 1/20 0.34
HCAR2 Q8TDS4 3/20 0.34

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
SCHEMBL2483213 0.85 PDE3B (0.42) GPR84PDE3BPDE3ALMNAPOLB
SCHEMBL791861 0.81 GPR84 (0.54) GPR84PDE3BPDE3AKMT2A
SCHEMBL28202924 0.79
SCHEMBL3639622 0.79 GPR84 (0.51) GPR84PDE3BPDE3AMEN1KMT2A
SCHEMBL26011808 0.74 MEN1 (0.39) GPR84PDE3BPDE3ALMNAPOLB
SCHEMBL4016016 0.74 PDE3B (0.51) GPR84PDE3BPDE3AMEN1KMT2A
SCHEMBL26063160 0.73 GPR84 (0.75) GPR84PDE3ALMNAPOLBSMN1; SMN2
SCHEMBL24211542 0.73 GPR84 (0.75) GPR84PDE3ALMNAPOLBSMN1; SMN2
SCHEMBL10733971 0.72 KMT2A (0.56) GPR84KDM4EPDE3BPDE3ALMNA
SCHEMBL4684337 0.71 TBXAS1 (0.64) TBXAS1TAAR1

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-2022012799-A1 OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2022-01-20 WO disclosed