SCHEMBL4775555

SCHEMBL4775555

COc1ccc(-c2[nH]nc(C)c2C(=O)Nc2ccc3c(c2)CCN(C2CCC2)CC3)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
HRH1 P35367 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
TMPRSS2 O15393 1/20 0.41
MCHR1 Q99705 2/20 0.41
KCNH2 Q12809 1/20 0.40
CYP2D6 P10635 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 SCHEMBL4772137 0.94 HRH3 (0.44) HRH3MEN1KMT2ANPC1POLB
SCHEMBL4771074 0.81 HRH3 (0.64) HRH3KMT2ANPC1POLBRAB9A
SCHEMBL4772144 0.78 HRH3 (0.42) HRH3MEN1KMT2ANPC1POLB
SCHEMBL4768500 0.76 HRH3 (0.57) HRH3NPC1RAB9ATMPRSS2
SCHEMBL4772163 0.75 NPC1 (0.57) HRH3KMT2ANPC1POLBRAB9A
Trifluoroacetic Acid SCHEMBL4767946 0.75 HRH3 (0.56) HRH3KMT2ANPC1POLBRAB9A
SCHEMBL4765424 0.74 HRH3 (0.47) HRH3MEN1KMT2ANPC1RAB9A
SCHEMBL4767955 0.74 HRH3 (0.50) HRH3NPC1RAB9ACYP2D6
SCHEMBL4773028 0.74 RAB9A (0.60) HRH3MEN1KMT2ANPC1RAB9A
SCHEMBL4767410 0.73 MAPT (0.57) HRH3MEN1KMT2ANPC1POLB

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