SCHEMBL5597868

SCHEMBL5597868

O=C(Nc1cc(C2CCCC2)n[nH]1)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.60
DRD2 P14416 5/20 0.60
DRD3 P35462 5/20 0.60
KMT2A Q03164 2/20 0.60
DCUN1D1 Q96GG9 3/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
SIGMAR1 Q99720 4/20 0.53
CCR3 P51677 2/20 0.53
UBE2M P61081 1/20 0.52
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52
F10 P00742 1/20 0.52
HPN P05981 1/20 0.52
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
HGFAC Q04756 1/20 0.52

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
SCHEMBL5597759 0.84 FAAH (0.56) DRD4DRD2DRD3ALDH1A1SMN1; SMN2
SCHEMBL5597656 0.82 DRD4 (0.61) DRD4DRD2DRD3KMT2ADCUN1D1
SCHEMBL5597872 0.81 EPHX1 (0.45) KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL5597567 0.79 MAPK1 (0.54) DRD4DRD2DRD3ALDH1A1
SCHEMBL5597680 0.78 NPC1 (0.51) DRD4DRD2DRD3KMT2AALDH1A1
SCHEMBL9078087 0.76 DRD4 (1.00) DRD4DRD2DRD3KMT2ADCUN1D1
SCHEMBL5597550 0.74 MAPK1 (0.55) DRD4DRD2DRD3HTT
SCHEMBL14433853 0.74 KMT2A (0.79) DRD4DRD2DRD3KMT2ADCUN1D1
SCHEMBL5597621 0.73 EPHX1 (0.50) DRD4DRD2DRD3KMT2AALDH1A1
SCHEMBL5597747 0.73 DRD2 (0.53) DRD4DRD2DRD3KMT2ASIGMAR1

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 8 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
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
US-6387900-B1 ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-05-14 US disclosed