SCHEMBL4770147

SCHEMBL4770147

Cc1nc2cc(C(=O)Nc3ccc4c(c3)CCN(C3CCC3)CC4)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.46
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TMPRSS2 O15393 1/20 0.42
LMNA P02545 1/20 0.41
PLAU P00749 1/20 0.41
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 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 SCHEMBL4770823 0.94 SLC2A1 (0.47) HRH3RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL6294868 0.84 ROCK2 (0.55) POLBROCK2
SCHEMBL4765111 0.83 HRH3 (0.46) HRH3RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL4765905 0.81 NPC1 (0.69) HRH3RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL4768412 0.81 MAOA (0.53) HRH3RAB9ANPC1MAPTTMPRSS2
SCHEMBL4770201 0.81 SMN1; SMN2 (0.50) HRH3RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL4768483 0.80 ALDH1A1 (0.51) HRH3RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL4772409 0.80 RAB9A (0.51) HRH3RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL4774583 0.79 HRH3 (0.57) HRH3RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL4774510 0.79 RAB9A (0.57) HRH3RAB9AALDH1A1SMN1; SMN2NPC1

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