SCHEMBL5160848

SCHEMBL5160848

CC(C)CC1CN(C(=O)O)CCc2cc(Oc3ccc(I)cc3F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.38
KDM6B O15054 1/20 0.38
MTNR1B P49286 2/20 0.36
KDM4E B2RXH2 1/20 0.34
ABCB11 O95342 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
SCN1A P35498 1/20 0.34
HTR2B P41595 1/20 0.34
MTOR P42345 1/20 0.34
SLC18A2 Q05940 1/20 0.34
SCN2A Q99250 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SCN3A Q9NY46 1/20 0.34

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
SCHEMBL5162126 0.89 KDM4C (0.38) KDM4CKDM6BMTNR1BKDM4EABCB11
SCHEMBL5160829 0.86 GHSR (0.38) KDM4CKDM6BALDH1A1MAPTGHSR
SCHEMBL6223687 0.86 PLA2G7 (0.40) KDM4CKDM6BMTNR1BGHSRRORC
SCHEMBL5160843 0.83 KDM4C (0.35) KDM4CKDM6BMTNR1BGHSRRORC
SCHEMBL5551732 0.81 MTNR1B (0.50) MTNR1BKDM4EABCB11ALDH1A1POLB
SCHEMBL6225110 0.79 TP53 (0.40) KDM4CALDH1A1HPGDTSHRMAPK1
SCHEMBL6226195 0.78 HRH3 (0.39) KDM4CKDM6BMTNR1BHTR1AMEN1
SCHEMBL2121245 0.78 DRD2 (0.38) MTNR1B
SCHEMBL6225384 0.78 SMN1; SMN2 (0.40) MTNR1BKDM4EABCB11ALDH1A1POLB
SCHEMBL6225074 0.78 HRH3 (0.39) KDM4CHTR1A

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-1756094-A1 3-CYCLOALKYLBENZAZEPINES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-02-28 EP disclosed
WO-2005123723-A1 3-CYCLOALKYLBENZAZEPINES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-12-29 WO disclosed