SCHEMBL7903033

SCHEMBL7903033

CCC(=O)Nc1ccc2c(c1)CCN2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.57
CYP3A4 P08684 2/20 0.49
POLB P06746 4/20 0.48
GAA P10253 3/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
TSHR P16473 1/20 0.46
NR4A1 P22736 1/20 0.45
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45
PRKD3 O94806 1/20 0.45
PAK4 O96013 1/20 0.45
ABL1 P00519 1/20 0.45
NTRK1 P04629 1/20 0.45
LCK P06239 1/20 0.45

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
SCHEMBL5803358 0.85 HPGD (0.49) RAB9AGAAHPGDDRD2DRD4
SCHEMBL31488089 0.83 NPC1 (0.51) RAB9AALDH1A1KDM4EDRD2DRD4
SCHEMBL880654 0.83 NPC1 (0.51) RAB9AALDH1A1KDM4EDRD2DRD4
Hydrochloric Acid SCHEMBL853073 0.82 NPC1 (0.50) RAB9AALDH1A1KDM4EDRD2DRD4
SCHEMBL27370339 0.81 NPC1 (0.64) RAB9APOLBGAAALDH1A1KDM4E
SCHEMBL30718462 0.81 NPC1 (0.64) RAB9APOLBGAAALDH1A1KDM4E
SCHEMBL6421787 0.81 RAB9A (0.52) RAB9AGAAALDH1A1KDM4EHPGD
SCHEMBL29642942 0.80 PLAU (0.52) ALDH1A1KDM4EDRD2DRD4MAPT
SCHEMBL11411975 0.80 RAB9A (0.55) RAB9ACYP3A4POLBGAAALDH1A1
SCHEMBL8515392 0.79 KMT2A (0.57) RAB9AGAAALDH1A1KDM4EDRD2

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