SCHEMBL4794145

SCHEMBL4794145

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1ccc2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 3/20 0.53
POLB P06746 2/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
LMNA P02545 3/20 0.50
HTT P42858 1/20 0.50
ABCB1 P08183 1/20 0.49
HRH3 Q9Y5N1 4/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
NTRK3 Q16288 1/20 0.47
NTRK2 Q16620 1/20 0.47

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 SCHEMBL4765701 0.94 MAPT (0.48) MAPTRAB9ANPC1POLBMAPK1
SCHEMBL4775002 0.87 RAB9A (0.53) MAPTRAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL4770901 0.84 HRH3 (0.56) MAPTRAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL5823896 0.83 HRH3 (0.54) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4794584 0.83 MEN1 (0.48) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4774628 0.82 TMPRSS2 (0.61) MAPTRAB9ANPC1POLBSMN1; SMN2
SCHEMBL4793943 0.82 ABCB1 (0.55) MAPTRAB9ANPC1SMN1; SMN2MEN1
Trifluoroacetic Acid SCHEMBL4765215 0.81 SMN1; SMN2 (0.47) MAPTRAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL4770359 0.80 ALDH1A1 (0.51) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4767427 0.79 HRH3 (0.50) MAPTRAB9ANPC1SMN1; SMN2NFKB1

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