SCHEMBL8350852

SCHEMBL8350852

CCOC(=O)C1CCN(CC2CN(C3CCN(c4ccncn4)CC3)C(=O)O2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.42
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
ITGB3 P05106 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
ITGA2B P08514 2/20 0.39
PRSS3 P35030 2/20 0.39
MAPT P10636 3/20 0.39
PTPN11 Q06124 1/20 0.39
RAB9A P51151 1/20 0.39
USP30 Q70CQ3 1/20 0.39
HTR2B P41595 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL8352321 0.88 HTR2B (0.44) F10ITGB3ITGA2BHTR2BGPR119
SCHEMBL8551353 0.83 HTR2B (0.42) HTR2BGPR119
SCHEMBL8351626 0.83 ALDH1A1 (0.43) KMT2AALDH1A1GAARAB9AHTR2B
SCHEMBL8351510 0.81 PTPN11 (0.42) F10ALDH1A1GAAITGB3PRSS1
SCHEMBL6180885 0.81 MAPT (0.53) KMT2AALDH1A1GAAMAPTRAB9A
SCHEMBL8590784 0.76 HRH3 (0.40) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8352742 0.75 MAPT (0.46) F10KMT2AALDH1A1GAAITGB3
SCHEMBL8355309 0.74 HTR2B (0.47) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8350743 0.74 HTR2B (0.43) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8350913 0.73 F10 (0.44) F10KMT2AALDH1A1GAAITGB3

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-5972947-A ANTICOAGULANT, CARDIOVASCULAR DISORDERS, ANTIINFLAMMATORY AGENTS, OSTEOPOROSIS, ANTITUMOR AGENT ROCHE DIAGNOSTICS GMBH (DE) 1999-10-26 US disclosed