SCHEMBL6223641

SCHEMBL6223641

CC(C)CC1CN(C(=O)O)CCc2cc(O)c(I)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC18A2 Q05940 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SCN1A P35498 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ SCN3A Q9NY46 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2122591 0.87 ESR1 (0.45) SLC18A2MAPK1HSD17B10KDM4EABCB11
SCHEMBL2122918 0.85 SLC18A2 (0.36) SLC18A2MAPK1HSD17B10KDM4EABCB11
SCHEMBL5552130 0.84 DRD1 (0.44) SLC18A2MAPK1HSD17B10KDM4EABCB11
SCHEMBL5242671 0.82 STS (0.37) SLC18A2MAPK1HSD17B10KDM4EABCB11
SCHEMBL2124647 0.81 ESR1 (0.44) SLC18A2MAPK1HSD17B10KDM4EABCB11
SCHEMBL5556509 0.81 ADRB3 (0.37) SLC18A2MAPK1HSD17B10KDM4EABCB11
SCHEMBL4637685 0.78 NR1H2 (0.39) SLC18A2MAPK1HSD17B10KDM4EABCB11
SCHEMBL6228809 0.78 GRIN1 (0.40) SLC18A2MAPK1HSD17B10KDM4EABCB11
SCHEMBL5669989 0.77 ESR1 (0.38) SLC18A2MAPK1HSD17B10KDM4EABCB11
SCHEMBL6223637 0.77 MAOA (0.34) MAPK1HSD17B10KDM4EMAPTMTOR

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
EP-1572215-A1 BENZO[D]AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LIMITED (GB) 2005-09-14 — — EP disclosed
WO-2004056369-A1 BENZO ‘ D!AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LIMITED (GB) 2004-07-08 — — WO disclosed
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