SCHEMBL5597614

SCHEMBL5597614

CN1CCN(C(=O)Nc2cc(C3CCCC3)n[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.42
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
ALPL P05186 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSS P25774 1/20 0.39
PARP1 P09874 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
CCR2 P41597 1/20 0.38
KCNH2 Q12809 1/20 0.38
FLT3 P36888 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CNR2 P34972 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37

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 0.90 KMT2A (0.45) ALDH1A1KMT2AMAPTCNR2DRD2
SCHEMBL5597500 0.88 KMT2A (0.47) KDM4EALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL5597552 0.86 POLB (0.42) HRH4KMT2AMAPTCCR2KCNH2
SCHEMBL5597612 0.85 POLB (0.42) KDM4EALDH1A1ALPLKMT2ASMN1; SMN2
SCHEMBL5597673 0.82 SMN1; SMN2 (0.52) KDM4EALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL5597631 0.82 KMT2A (0.39) KDM4EALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL5597759 0.82 FAAH (0.56) KDM4EALDH1A1SMN1; SMN2MAPTHSD17B10
SCHEMBL5868058 0.80 WNT3A (0.44) KDM4EALDH1A1SMN1; SMN2CCR2KCNH2
SCHEMBL5597521 0.80 CYP2C9 (0.43) KDM4EALDH1A1ALPLKMT2ASMN1; SMN2
SCHEMBL5597597 0.75 FAAH (0.60) KDM4EALDH1A1KMT2ASMN1; SMN2TDP1

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 11 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
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
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