SCHEMBL28512474

SCHEMBL28512474

COc1cccc2c1[nH]c(=O)n2C1CCC(C(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.53
HSD11B1 P28845 6/20 0.52
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
KMT2A Q03164 1/20 0.42
OPRM1 P35372 3/20 0.42
TNF P01375 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
LITAF Q99732 1/20 0.42
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
MTOR P42345 2/20 0.41
RICTOR Q6R327 2/20 0.41
RPTOR Q8N122 2/20 0.41
MAPKAP1 Q9BPZ7 2/20 0.41
MLST8 Q9BVC4 2/20 0.41
PLD2 O14939 2/20 0.40
PLD1 Q13393 2/20 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
SCHEMBL28512471 1.00 DAO (0.53) DAOHSD11B1DRD2DRD4DRD3
SCHEMBL29198145 0.89 DAO (0.52) DAOHSD11B1DRD2DRD4DRD3
SCHEMBL29198148 0.89 DAO (0.52) DAOHSD11B1DRD2DRD4DRD3
SCHEMBL30870521 0.87 HSD11B1 (0.43) DAOHSD11B1DRD2DRD4DRD3
SCHEMBL28506788 0.83 OPRM1 (0.59) HSD11B1DRD2OPRM1TNKSTNKS2
SCHEMBL28506786 0.83 OPRM1 (0.59) HSD11B1DRD2OPRM1TNKSTNKS2
SCHEMBL5388279 0.83 DAO (0.55) DAOHSD11B1DRD2DRD4DRD3
SCHEMBL22869414 0.82 MTNR1A (0.52) DAOHSD11B1
SCHEMBL28500852 0.81 CHRM1 (0.55) DAOHSD11B1DRD2OPRM1TNKS
SCHEMBL28505104 0.81 OPRM1 (0.45) HSD11B1DRD2OPRM1TNKSTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112074511-B Substituted benzodiazoles and their use in therapy 托马斯·黑勒戴药物研究基金会 2024-04-26 CN disclosed
CN-112074511-A Substituted benzodiazoles and their use in therapy 托马斯·黑勒戴药物研究基金会 2020-12-11 CN disclosed