SCHEMBL7903535

SCHEMBL7903535

CCc1ccc(CC)c(C(=O)N2CCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
KMT2A Q03164 5/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HPGD P15428 5/20 0.45
ALDH1A1 P00352 4/20 0.45
TSHR P16473 2/20 0.44
MEN1 O00255 4/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CCKBR P32239 1/20 0.43
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADRB2 P07550 1/20 0.41

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
SCHEMBL16656855 0.84 TSHR (0.53) POLBHPGDTSHR
SCHEMBL11919305 0.83 TSHR (0.56) POLBKMT2ANPC1RAB9AHPGD
SCHEMBL3901059 0.82 POLB (0.54) POLBKMT2ANPC1RAB9AHPGD
SCHEMBL10265412 0.81 PARP1 (0.51) POLBTSHR
SCHEMBL9971001 0.81 CPS1 (0.56) POLBKMT2ANPC1RAB9AHPGD
SCHEMBL3901062 0.80 POLB (0.55) POLBKMT2ANPC1RAB9AHPGD
SCHEMBL13905030 0.78 HTT (0.57) KMT2AHPGDALDH1A1TSHRMEN1
SCHEMBL24746174 0.78 HPGD (0.64) POLBKMT2AHPGDALDH1A1TSHR
SCHEMBL300831 0.76 HPGD (0.68) KMT2ANPC1RAB9AHPGDALDH1A1
SCHEMBL3902063 0.76 POLB (0.65) POLBKMT2AHPGDALDH1A1MEN1

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
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed