SCHEMBL5597747

SCHEMBL5597747

NC(=O)N(c1cc(C2CCCC2)n[nH]1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.53
DRD4 P21917 4/20 0.53
DRD3 P35462 4/20 0.53
CHRM2 P08172 13/20 0.48
CHRM3 P20309 13/20 0.48
OPRM1 P35372 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL28941485 0.83 CHRM2 (0.52) DRD2CHRM2CHRM3OPRM1SIGMAR1
SCHEMBL27584816 0.81 HCAR2 (0.37) DRD2DRD4DRD3KMT2A
SCHEMBL5597755 0.76 DRD2 (0.42) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL5597759 0.73 FAAH (0.56) DRD2DRD4DRD3
SCHEMBL5597868 0.73 DRD4 (0.60) DRD2DRD4DRD3SIGMAR1KMT2A
SCHEMBL2930230 0.72 DRD2 (0.72) DRD2DRD4DRD3SIGMAR1MEN1
SCHEMBL27584819 0.72 L3MBTL1 (0.38) CHRM2CHRM3OPRM1MEN1KMT2A
SCHEMBL30006056 0.70 CHRM3 (0.53) CHRM2CHRM3OPRM1SIGMAR1MEN1
SCHEMBL27092754 0.70 CHRM3 (0.53) CHRM2CHRM3OPRM1SIGMAR1MEN1
SCHEMBL3325625 0.69 CHRM2 (0.56) DRD2CHRM2CHRM3OPRM1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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