SCHEMBL4765384

SCHEMBL4765384

CCCc1c(C(=O)Nc2ccc3c(c2)CCN(C2CCC2)CC3)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
ALDH1A1 P00352 6/20 0.50
MAPK14 Q16539 3/20 0.47
HRH3 Q9Y5N1 2/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42
BLM P54132 1/20 0.42
POLB P06746 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
Trifluoroacetic Acid SCHEMBL4765164 0.95 MAPT (0.49) MAPTALDH1A1MAPK14HRH3GAA
SCHEMBL4765178 0.92 ALDH1A1 (0.58) MAPTALDH1A1MAPK14HRH3GAA
Hydrochloric Acid SCHEMBL4765416 0.91 ALDH1A1 (0.57) MAPTALDH1A1MAPK14GAAMAPK1
SCHEMBL4765305 0.87 RAB9A (0.48) HRH3SMN1; SMN2POLB
SCHEMBL4770698 0.87 MAPT (0.45) MAPTALDH1A1HRH3GAAMAPK1
Hydrochloric Acid SCHEMBL4774495 0.86 RAB9A (0.47) HRH3SMN1; SMN2POLB
SCHEMBL4771068 0.83 NR1H4 (0.43) MAPTALDH1A1HRH3SMN1; SMN2TP53
Trifluoroacetic Acid SCHEMBL4767843 0.83 MAPT (0.46) MAPTALDH1A1MAPK14HRH3GAA
Trifluoroacetic Acid SCHEMBL4765179 0.81 SLC2A1 (0.44) MAPTALDH1A1HRH3SMN1; SMN2TP53
SCHEMBL4768108 0.79 NPC1 (0.51) MAPTHRH3SMN1; SMN2TP53LMNA

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-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP claimed