SCHEMBL8450554

SCHEMBL8450554

[CH2]CCC(N)C(=O)NC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
BLM P54132 1/20 0.48
EPHX1 P07099 12/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
EPHX2 P34913 1/20 0.45
MAPT P10636 1/20 0.41
CASR P41180 1/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL13048446 0.79 EPHX1 (0.45) LMNABLMEPHX1SMN1; SMN2RAB9A
SCHEMBL10885385 0.79 BLM (0.52) LMNABLMEPHX1SMN1; SMN2RAB9A
SCHEMBL28337863 0.79 CPB2 (0.49) LMNABLMEPHX1SMN1; SMN2RAB9A
SCHEMBL11406503 0.79 BLM (0.52) LMNABLMEPHX1SMN1; SMN2RAB9A
SCHEMBL10885389 0.79 BLM (0.52) LMNABLMEPHX1SMN1; SMN2RAB9A
SCHEMBL24322687 0.79 SMN1; SMN2 (0.55) LMNABLMEPHX1SMN1; SMN2RAB9A
SCHEMBL3592432 0.79 CPB2 (0.49) LMNABLMEPHX1SMN1; SMN2RAB9A
SCHEMBL26896573 0.79 EPHX1 (0.51) LMNABLMEPHX1SMN1; SMN2RAB9A
SCHEMBL22197609 0.78 CPB2 (0.54) LMNABLMEPHX1SMN1; SMN2RAB9A
SCHEMBL22197608 0.78 CPB2 (0.54) LMNABLMEPHX1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591040-B1 Quaternary basic amides as tachykinines antagonists SANOFI SA (FR) 1999-02-03 EP disclosed
EP-0591040-A1 Quaternary basic amides as tachykinines antagonists SANOFI (FR) 1994-04-06 EP disclosed