SCHEMBL5597759

SCHEMBL5597759

O=C(Nc1cc(C2CCCC2)n[nH]1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.56
KDM4E B2RXH2 3/20 0.54
MAPT P10636 2/20 0.54
DRD2 P14416 3/20 0.54
DRD4 P21917 3/20 0.54
DRD3 P35462 3/20 0.54
PKM P14618 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CA12 O43570 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
EEF2K O00418 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL5597673 0.86 SMN1; SMN2 (0.52) KDM4EMAPTNPSR1CA12CA2
SCHEMBL5597597 0.84 FAAH (0.60) FAAHKDM4ECA12CA2CA9
SCHEMBL5597868 0.84 DRD4 (0.60) KDM4EDRD2DRD4DRD3SMN1; SMN2
SCHEMBL5597610 0.84 KMT2A (0.45) MAPTDRD2DRD4DRD3NPSR1
SCHEMBL5597500 0.82 KMT2A (0.47) KDM4EMAPTDRD2DRD4DRD3
SCHEMBL5597614 0.82 HRH4 (0.42) KDM4EMAPTDRD2DRD4DRD3
SCHEMBL5597552 0.80 POLB (0.42) MAPTDRD2DRD4DRD3NPSR1
SCHEMBL5597478 0.80 FAAH (0.61) FAAHKDM4EMAPTPKMNPSR1
SCHEMBL5597612 0.79 POLB (0.42) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5597631 0.79 KMT2A (0.39) FAAHKDM4EMAPTDRD2DRD4

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