SCHEMBL30398802

SCHEMBL30398802

c1ccc(-c2c(-c3nn[nH]n3)c(N3CCCCC3)nc3ccccc23)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 5/20 0.77
FABP5 Q01469 5/20 0.77
FABP3 P05413 3/20 0.77
CYP2D6 P10635 3/20 0.77
CYP2C9 P11712 3/20 0.77
ACP1 P24666 2/20 0.52
L3MBTL1 Q9Y468 5/20 0.49
KDM4E B2RXH2 4/20 0.49
MAPK1 P28482 3/20 0.49
ATM Q13315 2/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
TSHR P16473 4/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.46
HSD17B10 Q99714 3/20 0.46
ALDH1A1 P00352 3/20 0.46
USP2 O75604 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP3A4 P08684 1/20 0.45
HPGD P15428 3/20 0.45

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
SCHEMBL25334225 0.87 FABP4 (1.00) FABP4FABP5FABP3CYP2D6CYP2C9
SCHEMBL14917294 0.86 FABP4 (0.67) FABP4FABP5FABP3CYP2D6CYP2C9
SCHEMBL14916244 0.83 FABP4 (1.00) FABP4FABP5FABP3CYP2D6CYP2C9
SCHEMBL14917385 0.83 FABP4 (0.75) FABP4FABP5FABP3CYP2D6CYP2C9
SCHEMBL15571053 0.81 FABP4 (0.60) FABP4FABP5FABP3CYP2D6CYP2C9
SCHEMBL17351480 0.73 FABP4 (0.56) FABP4FABP5FABP3CYP2D6CYP2C9
SCHEMBL14917281 0.72 FABP4 (0.79) FABP4FABP5FABP3CYP2D6CYP2C9
SCHEMBL14917217 0.72 FABP4 (0.74) FABP4FABP5FABP3CYP2D6CYP2C9
SCHEMBL27970958 0.71 FABP3 (0.74) FABP4FABP5FABP3CYP2D6CYP2C9
SCHEMBL14917308 0.71 FABP4 (0.72) FABP4FABP5FABP3CYP2D6CYP2C9

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
EP-4175647-A1 ANTIVIRAL USE OF FABP4 MODULATING COMPOUNDS Crescenta Biosciences (US) 2023-05-10 EP claimed