SCHEMBL6971190

SCHEMBL6971190

COC(=O)CCCNc1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 3/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL3871114 0.81 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2GAAKDM4EMAPT
SCHEMBL20522286 0.80 QPCT (0.50) ALDH1A1SMN1; SMN2GAAKDM4EMAPT
SCHEMBL9779941 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2RAB9AGAAKDM4E
SCHEMBL9756822 0.80 LMNA (0.60) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL6977216 0.79 SIRT2 (0.53) ALDH1A1SMN1; SMN2RAB9AGAAKDM4E
Hydrochloric Acid SCHEMBL8170951 0.79 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2RAB9AGAAKDM4E
SCHEMBL9829793 0.77 TOP2A (0.53) ALDH1A1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL13737098 0.77 HDAC3 (0.48) ALDH1A1SMN1; SMN2GAAKDM4EMAPT
SCHEMBL28325177 0.77 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2RAB9AGAAMAPT
SCHEMBL9201178 0.76 PDK1 (0.42) ALDH1A1SMN1; SMN2RAB9AGAAKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021411-B1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LTD (GB) 2003-03-05 EP disclosed
US-6326386-B1 ANTICOAGULANT GLAXO GROUP LIMITED (GB) 2001-12-04 US disclosed
EP-1021411-A1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LIMITED (GB) 2000-07-26 EP disclosed
WO-1997022589-A1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LIMITED (GB) 1997-06-26 WO disclosed