SCHEMBL3630469

SCHEMBL3630469

Cc1nccc2nc(C(N)CCN3CCCCC3C)ccc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.38
KCNH2 Q12809 3/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC2A1 P11166 1/20 0.36
MAOB P27338 1/20 0.35
TERT O14746 1/20 0.35

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
SCHEMBL3631614 0.86 LMNA (0.37) HRH3KCNH2MEN1POLBKMT2A
SCHEMBL3628240 0.79 ALDH1A1 (0.34) HRH3KCNH2KDM4ESLC2A1
SCHEMBL3322215 0.77 SLC2A1 (0.51) HRH3KDM4EMAPK1HSD17B10MEN1
SCHEMBL3326154 0.75 LMNA (0.42) HRH3KCNH2KDM4EMAPK1HSD17B10
SCHEMBL3633564 0.68 CYP2C9 (0.45)
SCHEMBL13499969 0.66 LMNA (0.58) HRH3KDM4E
SCHEMBL3320403 0.64 CACNA2D1 (0.43) HRH3KCNH2MAOB
SCHEMBL3633491 0.63 LPAR2 (0.43) KDM4EPOLB
SCHEMBL3321755 0.63 HRH3 (0.47) HRH3KDM4EHSD17B10
SCHEMBL3322417 0.62 HRH3 (0.49) HRH3HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155748-A1 UROTENSIN II RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP claimed
WO-2008144268-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-27 WO claimed
EP-2155748-A1 UROTENSIN II RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP disclosed
WO-2008144268-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-27 WO disclosed