SCHEMBL6998949

SCHEMBL6998949

CC(O)C(CCCc1ccccc1)n1ncc(C#N)c1N

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.38
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
CYP19A1 P11511 1/20 0.35
XDH P47989 1/20 0.34
KMT2A Q03164 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CES1 P23141 1/20 0.33
NAAA Q02083 1/20 0.33

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
SCHEMBL6997571 0.86 ALDH1A1 (0.38) FAAHALDH1A1GAACYP19A1XDH
SCHEMBL7885859 0.80 RIPK2 (0.43) FAAHALDH1A1GAAKMT2AKDM4E
SCHEMBL6997387 0.79 TSHR (0.50) FAAHALDH1A1GAAKMT2AMAPT
SCHEMBL6999349 0.77 KDR (0.39) FAAHALDH1A1GAACYP19A1TSHR
SCHEMBL6992446 0.77 LMNA (0.38) FAAHLMNA
SCHEMBL6997684 0.76 TSHR (0.37) FAAHGAATSHR
SCHEMBL7409812 0.74 PDE2A (0.36) GAA
SCHEMBL4759855 0.71 KDM4E (0.41) ALDH1A1XDHKMT2AFNTAFNTB
SCHEMBL7355527 0.70 MEN1 (0.43) FAAHKMT2ALMNATSHR
SCHEMBL7885863 0.70 MEN1 (0.42) FAAHKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1151155-C 1, 5-dihydro-pyrazolo [3, 4-D ] -pyrimidone derivatives 2004-05-26 CN disclosed
EP-0973774-B1 1,5-DIHYDRO-PYRAZOLO 3,4-D]-PYRIMIDINONE DERIVATIVES BAYER AG (DE) 2003-01-22 EP disclosed
US-6174884-B1 CARDIOVASCULAR DISORDERS; CEREBROVASCULAR DISEASES; VASCULAR SYSTEM DISORDERS, ESPECIALLY THE PERIPHERAL BLOOD VESSELS; UROGENITAL DISORDERS; HYPOTENSIVE AGENTS; ANTIARRYTHMIA AND -ISCHEMIC AGENTS; PHOSPHODIESTERASE ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2001-01-16 US disclosed
CN-1255133-A 1,5-dihydro-pyrazolo [3,4-D]-pyrimidinone derivatives BAYER AG (DE) 2000-05-31 CN disclosed
EP-0973774-A1 1,5-DIHYDRO-PYRAZOLO 3,4-D]-PYRIMIDINONE DERIVATIVES BAYER AG (DE) 2000-01-26 EP disclosed
WO-1998040384-A1 1,5-DIHYDRO-PYRAZOLO[3,4-D]-PYRIMIDINONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1998-09-17 WO disclosed