SCHEMBL30870262

SCHEMBL30870262

COc1cc(NC(=O)N2CCC(n3c(=O)[nH]c4c(Br)cccc43)CC2)ccc1C

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.65
DRD2 P14416 2/20 0.51
ALDH1A1 P00352 1/20 0.49
CHRM1 P11229 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
CALCRL Q16602 1/20 0.42

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
SCHEMBL22869849 1.00 HSD11B1 (0.65) HSD11B1DRD2ALDH1A1CHRM1L3MBTL1
SCHEMBL30870193 0.94 HSD11B1 (0.74) HSD11B1DRD2ALDH1A1CHRM1L3MBTL1
SCHEMBL22869508 0.94 HSD11B1 (0.74) HSD11B1DRD2ALDH1A1CHRM1L3MBTL1
SCHEMBL22869487 0.93 HSD11B1 (0.55) HSD11B1DRD2ALDH1A1CHRM1L3MBTL1
SCHEMBL30870191 0.93 HSD11B1 (0.55) HSD11B1DRD2ALDH1A1CHRM1L3MBTL1
SCHEMBL22869654 0.92 HSD11B1 (0.66) HSD11B1DRD2ALDH1A1CHRM1L3MBTL1
SCHEMBL30870358 0.92 HSD11B1 (0.66) HSD11B1DRD2ALDH1A1CHRM1L3MBTL1
SCHEMBL30870237 0.90 DRD2 (0.57) HSD11B1DRD2ALDH1A1CHRM1L3MBTL1
SCHEMBL22869580 0.90 HSD11B1 (0.53) HSD11B1DRD2ALDH1A1CHRM1L3MBTL1
SCHEMBL22869401 0.90 DRD2 (0.57) HSD11B1DRD2ALDH1A1CHRM1L3MBTL1

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 claimed
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