SCHEMBL8380856

SCHEMBL8380856

CCOC(=O)CN1CCN(C(=O)c2ccc(N(C(=N)N)C(=O)OC(C)(C)C)cc2)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
GAA P10253 3/20 0.34
F2 P00734 3/20 0.34
F10 P00742 2/20 0.34
KCNH2 Q12809 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PLA2G2A P14555 2/20 0.34
CYP2C19 P33261 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL8384282 0.91 PLA2G2A (0.36) KMT2AALDH1A1MEN1ITGB3ITGA2B
SCHEMBL8385332 0.84 ITGB3 (0.39) KMT2AALDH1A1MEN1ITGB3ITGA2B
SCHEMBL8380852 0.77 CYP2C19 (0.43) KMT2AALDH1A1MEN1GAASMN1; SMN2
SCHEMBL8385474 0.69 ITGB3 (0.45) KMT2AALDH1A1ITGB3ITGA2BGAA
SCHEMBL8384276 0.69 CYP2C19 (0.42) KMT2AALDH1A1MEN1GAAPLA2G2A
SCHEMBL8385557 0.68 MAPT (0.39) KMT2AALDH1A1MEN1F2SMN1; SMN2
SCHEMBL7684996 0.66 GAA (0.42) KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL21063418 0.64 NR1H2 (0.41) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL8385342 0.63 ITGB3 (0.58) KMT2AMEN1ITGB3ITGA2BF2
SCHEMBL12495751 0.63 ADORA1 (0.42) ALDH1A1SMN1; SMN2POLB

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-5908843-A Piperazine compounds as fibrinogen inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-06-01 US disclosed