SCHEMBL6997684

SCHEMBL6997684

COc1nn(C(CCCc2ccccc2)C(C)O)c(N)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
PDE2A O00408 3/20 0.36
IKBKB O14920 1/20 0.34
FAAH O00519 1/20 0.34
RPS27 P42677 1/20 0.33
GRM2 Q14416 1/20 0.33
GAA P10253 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL6992801 0.87 TSHR (0.40) TSHRIKBKBRPS27GRM2GAA
SCHEMBL6997387 0.86 TSHR (0.50) TSHRPDE2AIKBKBFAAHGRM2
SCHEMBL6998949 0.76 FAAH (0.38) TSHRFAAHGAA
SCHEMBL7409812 0.75 PDE2A (0.36) PDE2AGAA
SCHEMBL7893972 0.74 TSHR (0.40) TSHRIKBKBRPS27GAA
SCHEMBL6999349 0.72 KDR (0.39) TSHRIKBKBFAAHGAA
SCHEMBL6998546 0.71 RPS27 (0.41) TSHRRPS27
SCHEMBL7851968 0.71 DAGLA (0.37) PDE4APDE4BPDE4CPDE4D
SCHEMBL7885863 0.71 MEN1 (0.42) PDE2AFAAHPDE4APDE4BPDE4C
SCHEMBL6995428 0.71 DRD2 (0.38) PDE2AFAAHPDE4APDE4BPDE4C

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-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
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