SCHEMBL29933938

SCHEMBL29933938

C=Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2O)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 10/20 0.44
TAS1R1 Q7RTX1 9/20 0.44
TAS1R2 Q8TE23 8/20 0.44
NAMPT P43490 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ACSS2 Q9NR19 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 1/20 0.39

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
SCHEMBL29933893 0.89 NAMPT (0.46) TAS1R3TAS1R1TAS1R2NAMPTNPSR1
SCHEMBL29934118 0.81 TAS1R3 (0.60) TAS1R3TAS1R1TAS1R2NAMPTNPSR1
SCHEMBL29933852 0.81 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2NAMPTNPSR1
SCHEMBL29934001 0.81 MAPT (0.47) TAS1R3TAS1R1TAS1R2NAMPTNPSR1
SCHEMBL29934032 0.81 CNR1 (0.47) CNR1CNR2
SCHEMBL29934035 0.80 NPSR1 (0.47) TAS1R3TAS1R1TAS1R2NAMPTNPSR1
SCHEMBL29933999 0.78 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2NAMPTNPSR1
SCHEMBL29934104 0.78 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2NAMPTNPSR1
SCHEMBL29933088 0.77 RAB9A (0.64) TAS1R3TAS1R1TAS1R2NAMPTNPSR1
SCHEMBL29934067 0.76 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2NAMPTHDAC4

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