SCHEMBL24645127

SCHEMBL24645127

Cc1cc(OCc2ncccn2)cc(=O)n1[C@H](C)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.40
TP53 P04637 1/20 0.37
CYP17A1 P05093 1/20 0.37
POLB P06746 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
SOD1 P00441 1/20 0.36
IDH1 O75874 1/20 0.35
ROCK2 O75116 1/20 0.35
GSTP1 P09211 1/20 0.34
FFAR1 O14842 3/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
BRD4 O60885 2/20 0.34
CLK1 P49759 1/20 0.34
PTGER4 P35408 1/20 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
SCHEMBL24644926 0.93 TP53 (0.42) FAAHTP53POLBIDH1KDM4E
SCHEMBL24645060 0.90 FAAH (0.42) FAAHTP53POLBRXFP1IDH1
SCHEMBL24644880 0.90 FAAH (0.42) FAAHTP53POLBRXFP1IDH1
SCHEMBL24644643 0.90 HCRTR2 (0.36) TP53IDH1RAB9A
SCHEMBL24644929 0.90 HCRTR2 (0.36) TP53IDH1RAB9A
SCHEMBL27354517 0.88 IDH1 (0.34) TP53IDH1FFAR1KDM4EGAA
SCHEMBL24645058 0.87 TP53 (0.45) FAAHTP53POLBIDH1FFAR1
SCHEMBL24644822 0.87 ALOX5AP (0.38) TP53IDH1
SCHEMBL24644639 0.87 TP53 (0.33) TP53IDH1
SCHEMBL24644869 0.87 PTGDR2 (0.42) TP53SOD1FFAR1KDM4EMAPT

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-2022167445-A1 GPR84 ANTAGONISTS AND USES THEREOF Liminal Biosciences Limited (GB) 2022-08-11 WO disclosed