SCHEMBL29933893

SCHEMBL29933893

Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1C=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.46
TAS1R3 Q7RTX0 8/20 0.45
TAS1R1 Q7RTX1 7/20 0.45
TAS1R2 Q8TE23 6/20 0.45
ACSS2 Q9NR19 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CNR1 P21554 2/20 0.41
F10 P00742 1/20 0.40

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
SCHEMBL29933938 0.89 TAS1R3 (0.44) NAMPTTAS1R3TAS1R1TAS1R2ACSS2
SCHEMBL29934067 0.85 TAS1R3 (0.54) NAMPTTAS1R3TAS1R1TAS1R2ACSS2
SCHEMBL29934001 0.82 MAPT (0.47) NAMPTTAS1R3TAS1R1TAS1R2NPSR1
SCHEMBL29933852 0.82 TAS1R3 (0.47) NAMPTTAS1R3TAS1R1TAS1R2NPSR1
SCHEMBL29934118 0.82 TAS1R3 (0.60) NAMPTTAS1R3TAS1R1TAS1R2NPSR1
SCHEMBL15653186 0.81 MAPK14 (0.54) NPC1RAB9A
SCHEMBL29934035 0.81 NPSR1 (0.47) NAMPTTAS1R3TAS1R1TAS1R2ACSS2
SCHEMBL29933883 0.80 CNR1 (0.48) CNR1
SCHEMBL29934104 0.79 TAS1R3 (0.44) NAMPTTAS1R3TAS1R1TAS1R2NPSR1
SCHEMBL29933999 0.79 TAS1R3 (0.46) NAMPTTAS1R3TAS1R1TAS1R2NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119371371-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2025-01-28 CN disclosed
CN-115315421-B Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2024-12-03 CN disclosed
CN-115315421-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2022-11-08 CN disclosed