SCHEMBL5597808

SCHEMBL5597808

CCN1CCCC1CNC(=O)Nc1cc(C2CC2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
CYP2C19 P33261 1/20 0.46
DRD3 P35462 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL5597615 0.75 MAPK1 (0.54) RAB9ASMN1; SMN2ALDH1A1KMT2AMAPK1
SCHEMBL5597773 0.75 MAPK1 (0.44) RAB9ASMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL5597497 0.74 CNR1 (0.49) KMT2A
SCHEMBL5597774 0.74 MAPK1 (0.45) RAB9AALOX15MAPK1
SCHEMBL5597671 0.73 KMT2A (0.49) KMT2A
SCHEMBL4132955 0.73 MAPK1 (0.49) ALDH1A1MAPK1
SCHEMBL11610469 0.71 DRD2 (0.59) DRD2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL31516877 0.71 CCNA2 (0.45) DRD2RAB9ASMN1; SMN2DRD4DRD3
SCHEMBL13853654 0.71 ALDH1A1 (0.75) DRD2ABCG2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13853692 0.71 ALDH1A1 (0.75) DRD2ABCG2RAB9ASMN1; SMN2ALDH1A1

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