SCHEMBL2211945

SCHEMBL2211945

O=C(NC1CCOCC1)Oc1ccc2cc(OCCCN3CCCCC3)ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.54
EPHX2 P34913 2/20 0.49
BMPR1B O00238 2/20 0.47
BMPR1A P36894 2/20 0.47
TGFBR1 P36897 2/20 0.47
ACVRL1 P37023 2/20 0.47
ACVR1 Q04771 2/20 0.47
KCNH2 Q12809 1/20 0.47
AURKA O14965 3/20 0.46
AURKB Q96GD4 3/20 0.46
AVPR1B P47901 1/20 0.44

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
SCHEMBL2209226 0.86 HRH3 (0.51) HRH3EPHX2BMPR1BBMPR1ATGFBR1
SCHEMBL1381470 0.86 HRH3 (0.63) HRH3EPHX2BMPR1BBMPR1ATGFBR1
SCHEMBL2208923 0.82 HRH3 (0.55) HRH3AVPR1B
SCHEMBL2209034 0.79 HRH3 (0.52) HRH3
SCHEMBL2209038 0.76 HRH3 (0.59) HRH3KCNH2
SCHEMBL2211880 0.75 HRH3 (0.51) HRH3AVPR1B
SCHEMBL2208108 0.75 HRH3 (0.85) HRH3
SCHEMBL2208812 0.74 HRH3 (0.54) HRH3KCNH2AVPR1B
SCHEMBL4502549 0.73 HRH3 (0.67) HRH3BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL2208642 0.73 HRH3 (0.78) HRH3

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-1805166-B1 QUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-07-27 EP claimed