SCHEMBL8545887

SCHEMBL8545887

CC(C)CCc1c(CC(C)CCI)ccc(N)c1Nc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8545771 0.72 MAPT (0.40) ALOX15MAPTHTTNPSR1ALDH1A1
SCHEMBL2904304 0.63 ALDH1A1 (0.42) ALOX15MAPTHTTNPSR1ALDH1A1
SCHEMBL3895691 0.61 ALDH1A1 (0.46) ALOX15MAPTHTTNPSR1ALDH1A1
SCHEMBL27909664 0.60 NOS3 (0.33)
SCHEMBL6855456 0.60 MAPT (0.47) ALOX15MAPTHTTNPSR1ALDH1A1
SCHEMBL28916357 0.59 NOS3 (0.35) NPSR1
SCHEMBL28282147 0.59 ALDH1A1 (0.44) ALOX15MAPTHTTNPSR1ALDH1A1
SCHEMBL28883156 0.59 ALDH1A1 (0.44) ALOX15MAPTHTTNPSR1ALDH1A1
SCHEMBL18109165 0.58 ALDH1A1 (0.43) ALOX15MAPTHTTNPSR1ALDH1A1
SCHEMBL104783 0.58 SLC6A2 (0.46) ALOX15CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0698014-B1 3-PHENYLUREIDO-1,5-BENZODIAZEPINE-DIONES USEFUL AS GASTRIN OR CCK ANTAGONISTS GLAXO WELLCOME SPA (IT) 1998-07-22 EP disclosed