SCHEMBL4770698

SCHEMBL4770698

CCCc1c(C(=O)Nc2ccc3c(c2)CCN(C2CCC2)CC3)cnn1-c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HRH3 Q9Y5N1 3/20 0.44
BLM P54132 1/20 0.43
RAB9A P51151 3/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MLNR O43193 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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 SCHEMBL4767843 0.95 MAPT (0.46) MAPTALDH1A1HRH3BLMRAB9A
SCHEMBL4765178 0.89 ALDH1A1 (0.58) MAPTALDH1A1HRH3GAAMAPK1
Hydrochloric Acid SCHEMBL4765416 0.88 ALDH1A1 (0.57) MAPTALDH1A1GAAMAPK1
SCHEMBL4765384 0.87 MAPT (0.50) MAPTALDH1A1HRH3BLMGAA
Trifluoroacetic Acid SCHEMBL4765164 0.82 MAPT (0.49) MAPTALDH1A1HRH3GAAMAPK1
SCHEMBL4768367 0.79 NPC1 (0.48) ALDH1A1HRH3RAB9ANPC1HPGD
Hydrochloric Acid SCHEMBL4770710 0.78 NPC1 (0.47) HRH3RAB9ANPC1HPGD
SCHEMBL4774462 0.77 RAB9A (0.59) RAB9ANPC1HPGD
SCHEMBL4765305 0.76 RAB9A (0.48) HRH3RAB9ANPC1HPGD
Hydrochloric Acid SCHEMBL4774495 0.75 RAB9A (0.47) HRH3RAB9ANPC1HPGD

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