SCHEMBL5597777

SCHEMBL5597777

NC(=O)N(CCc1ccccc1)c1cc(C2CCCC2)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.46
DRD4 P21917 3/20 0.46
DRD3 P35462 3/20 0.46
HCAR3 P49019 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
SLC18A3 Q16572 1/20 0.36
OPRM1 P35372 4/20 0.36
OPRD1 P41143 4/20 0.36
OPRK1 P41145 4/20 0.36
CDC7 O00311 1/20 0.35
NAPEPLD Q6IQ20 2/20 0.35
EPHX2 P34913 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX1 P07099 1/20 0.34

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
SCHEMBL5597755 0.88 DRD2 (0.42) DRD2DRD4DRD3HCAR3CDC7
SCHEMBL27565140 0.84 MBTPS1 (0.40) DRD2DRD4DRD3NAPEPLDEPHX2
SCHEMBL27584810 0.80 KMT2A (0.35) KMT2A
Chlorobenzene SCHEMBL27565141 0.75 DRD2 (0.37) DRD2DRD4DRD3CDC7KMT2A
SCHEMBL27584820 0.74 KMT2A (0.42) DRD2DRD4DRD3SMYD3EPHX2
SCHEMBL27584981 0.74 HCAR2 (0.43) CDC7
SCHEMBL27565003 0.73 CDC7 (0.37) CDC7
SCHEMBL28747748 0.72 CNR1 (0.37) DRD2DRD4DRD3CDC7MEN1
SCHEMBL27565130 0.72 CDC7 (0.36) CDC7ALDH1A1
SCHEMBL27584804 0.72 SYK (0.37) DRD2DRD4DRD3CDC7ALDH1A1

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 1 patent. 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 disclosed