SCHEMBL7904909

SCHEMBL7904909

CCC(=O)Nc1ccc2c(c1)CNC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.67
ITGB3 P05106 8/20 0.60
ITGA2B P08514 8/20 0.60
CYP3A4 P08684 2/20 0.53
POLB P06746 4/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.49
NR4A1 P22736 1/20 0.49
CHEK1 O14757 1/20 0.48
AURKA O14965 1/20 0.48
DAPK3 O43293 1/20 0.48
JAK2 O60674 1/20 0.48
PRKD3 O94806 1/20 0.48
PAK4 O96013 1/20 0.48
ABL1 P00519 1/20 0.48
NTRK1 P04629 1/20 0.48
LCK P06239 1/20 0.48

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
SCHEMBL7909620 0.88 RAB9A (0.60) RAB9AITGB3ITGA2BCYP3A4
SCHEMBL2333229 0.84 ITGB3 (0.60) RAB9AITGB3ITGA2BPOLB
SCHEMBL4716271 0.83 ITGB3 (0.56) RAB9AITGB3ITGA2BALDH1A1MEN1
SCHEMBL13336896 0.83 ITGB3 (0.56) ITGB3ITGA2BALDH1A1KDM4EHPGD
SCHEMBL531907 0.81 CYP1A2 (0.55) RAB9AITGB3ITGA2BNPC1CYP1A2
Hydrochloric Acid SCHEMBL4761772 0.80 ITGB3 (0.55) RAB9AITGB3ITGA2BNPC1CYP1A2
SCHEMBL21765857 0.80 RAB9A (1.00) RAB9ACYP3A4POLBGAAALDH1A1
SCHEMBL12501320 0.80 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL4712303 0.79 MEN1 (0.54) ITGB3ITGA2BMEN1KMT2ASMN1; SMN2
SCHEMBL29606520 0.78 ITGB3 (0.54) ITGB3ITGA2B

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