SCHEMBL9735786

SCHEMBL9735786

O=C1CCC(C(=O)N2CCN(C(=O)CCl)CC2)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.46
TPSG1 Q9NRR2 1/20 0.46
NAMPT P43490 6/20 0.44
ALDH1A1 P00352 3/20 0.44
TGM2 P21980 1/20 0.42
PARP1 P09874 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
LMNA P02545 1/20 0.36
CNR2 P34972 1/20 0.36
EPHX2 P34913 1/20 0.36
YAP1 P46937 1/20 0.36
TEAD4 Q15561 1/20 0.36
GPX4 P36969 1/20 0.35

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
SCHEMBL7950888 0.87 NAMPT (0.51) TPSAB1TPSD1TPSG1NAMPTALDH1A1
SCHEMBL7950882 0.87 NAMPT (0.51) TPSAB1TPSD1TPSG1NAMPTALDH1A1
SCHEMBL9734790 0.85 TPSAB1 (0.46) TPSAB1TPSD1TPSG1NAMPTTGM2
SCHEMBL7955572 0.82 NAMPT (0.48) TPSAB1TPSD1TPSG1NAMPTALDH1A1
SCHEMBL9735396 0.81 GAA (0.51) TPSAB1TPSD1TPSG1NAMPTALDH1A1
SCHEMBL5971671 0.80 NAMPT (0.46) TPSAB1TPSD1TPSG1NAMPTTGM2
SCHEMBL9734368 0.80 NAMPT (0.46) TPSAB1TPSD1TPSG1NAMPTTGM2
SCHEMBL9736271 0.80 NAMPT (0.46) TPSAB1TPSD1TPSG1NAMPTTGM2
SCHEMBL9734899 0.80 GAA (0.54) TPSAB1TPSD1TPSG1NAMPTALDH1A1
SCHEMBL9736108 0.80 NAMPT (0.43) TPSAB1TPSD1TPSG1NAMPTTGM2

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
US-5102882-A Nootropic agents NIPPON SHINYAKU CO., LTD. (JP) 1992-04-07 US disclosed