SCHEMBL4765310

SCHEMBL4765310

Cc1nc2ccccc2n1[C@@H](C)c1ccc(C(=O)N2CCC(N3CCCC3)C2)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.70
L3MBTL3 Q96JM7 7/20 0.53
L3MBTL1 Q9Y468 7/20 0.53
MBTD1 Q05BQ5 4/20 0.46
TP53BP1 Q12888 1/20 0.46
L3MBTL4 Q8NA19 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2881648 1.00 HRH3 (0.70) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL2886245 1.00 HRH3 (0.70) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL2878841 0.88 HRH3 (0.57) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL2886402 0.88 HRH3 (0.57) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL2887544 0.87 HRH3 (0.54) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL2879601 0.87 HRH3 (0.54) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL2885504 0.87 HRH3 (0.54) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL1811575 0.82 HRH3 (1.00) HRH3L3MBTL3L3MBTL1
SCHEMBL2883971 0.82 HRH3 (0.65) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL2884052 0.82 HRH3 (0.65) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994022-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-11-26 EP claimed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 WO claimed