SCHEMBL8545771

SCHEMBL8545771

CC(C)CCc1cccc(N)c1Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
ALDH1A1 P00352 6/20 0.40
LMNA P02545 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 3/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 3/20 0.37
ALOX12 P18054 3/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL104783 0.76 SLC6A2 (0.46) ALOX15CYP3A4TDP1SLC6A2SLC6A4
SCHEMBL28282147 0.73 ALDH1A1 (0.44) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL8545887 0.72 ALOX15 (0.37) MAPTALDH1A1ALOX15HTTNPSR1
SCHEMBL27845164 0.72 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7630645 0.70 SLC6A2 (0.48) ALDH1A1TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL31517195 0.70 SLC6A2 (0.48) ALDH1A1TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL11900726 0.70 CXCR2 (0.51) MAPTALDH1A1LMNAMEN1KMT2A
Formic Acid SCHEMBL28259321 0.68 SLC6A2 (0.39) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL2904304 0.68 ALDH1A1 (0.42) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL11901586 0.66 MAPT (0.50) MAPTALDH1A1LMNAMEN1KMT2A

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 3 patents. 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
EP-0698014-A1 3-PHENYLUREIDO-1,5-BENZODIAZEPINE-DIONES USEFUL AS GASTRIN OR CCK ANTAGONISTS GLAXO S.p.A. (IT) 1996-02-28 EP disclosed
WO-1994025444-A1 3-PHENYLUREIDO-1,5-BENZODIAZEPINE-DIONES USEFUL AS GASTRIN OR CCK ANTAGONISTS GLAXO SPA (IT) 1994-11-10 WO disclosed