SCHEMBL5597552

SCHEMBL5597552

O=C(Nc1cc(C2CCCC2)n[nH]1)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
KMT2A Q03164 1/20 0.39
HRH4 Q9H3N8 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
FLT3 P36888 2/20 0.36
CCR2 P41597 1/20 0.36
KCNH2 Q12809 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC3 O15379 1/20 0.34
PAK4 O96013 1/20 0.34
PAK1 Q13153 1/20 0.34
NTRK1 P04629 1/20 0.34

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
SCHEMBL5597610 0.91 KMT2A (0.45) POLBKMT2ACNR2CNR1DRD2
SCHEMBL5597500 0.90 KMT2A (0.47) POLBKMT2ADRD2DRD4DRD3
SCHEMBL5597612 0.86 POLB (0.42) POLBKMT2ACNR2MAPT
SCHEMBL5597614 0.86 HRH4 (0.42) KMT2AHRH4CNR2FLT3CCR2
SCHEMBL5597631 0.83 KMT2A (0.39) KMT2ACNR2CNR1DRD2DRD4
SCHEMBL5597673 0.81 SMN1; SMN2 (0.52) POLBKMT2AHRH3MAPTNPSR1
SCHEMBL5597521 0.81 CYP2C9 (0.43) POLBKMT2ACNR2MAPTNPSR1
SCHEMBL5597759 0.80 FAAH (0.56) DRD2DRD4DRD3MAPTNPSR1
SCHEMBL16648674 0.75 HRH4 (0.36) KMT2AHRH4DRD2DRD4DRD3
SCHEMBL12644366 0.75 POLB (0.44) POLBHRH4CNR2FLT3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202734-B1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-05-02 EP claimed
EP-1202734-A4 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2004-09-01 EP claimed
JP-2003507328-A 2003-02-25 JP claimed
CN-1379668-A 3(5)-ureido-pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2002-11-13 CN claimed
US-6387900-B1 ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-05-14 US claimed
EP-1202734-A1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-08 EP claimed
WO-2001012188-A1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2001-02-22 WO claimed
EP-1202734-B1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-05-02 EP disclosed
EP-1202734-A4 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2004-09-01 EP disclosed
CN-1379668-A 3(5)-ureido-pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2002-11-13 CN disclosed
US-6387900-B1 ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-05-14 US disclosed
EP-1202734-A1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-08 EP disclosed
WO-2001012188-A1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2001-02-22 WO disclosed