SCHEMBL9486013

SCHEMBL9486013

CC1(C(=O)NNC(N)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.42
P2RX7 Q99572 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 2/20 0.36
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
CRBN Q96SW2 1/20 0.31
TSHR P16473 2/20 0.30
NFKB1 P19838 2/20 0.30
CYP1A2 P05177 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
THPO P40225 1/20 0.30
CA2 P00918 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CA5A P35218 1/20 0.30

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
SCHEMBL5523419 0.74
Hydrochloric Acid SCHEMBL21853138 0.72
SCHEMBL8567866 0.70
SCHEMBL462818 0.70
SCHEMBL457922 0.69
SCHEMBL3622465 0.69
SCHEMBL21785 0.67
Hydrochloric Acid SCHEMBL31169689 0.67
SCHEMBL16028754 0.67 FFAR3 (0.50) FFAR3P2RX7ALDH1A1SMN1; SMN2CRHBP
SCHEMBL23263837 0.66 P2RX7 (0.44) P2RX7ALDH1A1SMN1; SMN2CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5208231-A Dialkylcarbamoyl substituted compounds S.D.S. BIOTECH K.K. (JP) 1993-05-04 US disclosed
US-5155124-A TRIAZOLE COMPOUND AND INSECTICIDE COMPOSITION CONTAINING THE SAME S.D.S. BIOTECH K.K. (JP) 1992-10-13 US disclosed
EP-0399553-A1 Triazole compound and insecticide composition containing the same SDS Biotech K.K. (JP) 1990-11-28 EP disclosed