SCHEMBL12643631

SCHEMBL12643631

C=C(OCC)C(CC(C)C)NC(=O)NCc1ccc(N)cc1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 5/20 0.80
▸ ANPEP P15144 5/20 0.55
▸ PPIG Q13427 2/20 0.54
▸ PPIB P23284 1/20 0.54
▸ PPIA P62937 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ ATM Q13315 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL2040765 0.89 PPID (1.00) PPIDANPEPPPIGPPIBPPIA
SCHEMBL12643638 0.81 PPID (0.57) PPIDANPEPPPIGPPIBPPIA
SCHEMBL2034626 0.79 PPID (0.73) PPIDANPEPPPIGPPIBPPIA
SCHEMBL2039871 0.74 PPID (1.00) PPIDANPEPPPIGPPIBPPIA
SCHEMBL12643652 0.73 PPID (0.69) PPIDANPEPPPIGPPIBPPIA
SCHEMBL16270312 0.73 PPID (0.69) PPIDANPEPPPIGPPIBPPIA
SCHEMBL12643966 0.72 PPID (0.68) PPIDANPEPPPIGPPIBPPIA
SCHEMBL12643632 0.72 PPID (0.68) PPIDANPEPPPIGPPIBPPIA
SCHEMBL15832185 0.72 PPID (0.65) PPIDANPEPPPIGPPIBPPIA
SCHEMBL2035741 0.71 PPID (0.64) PPIDANPEPPPIGPPIBPPIA

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-2011076784-A2 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-06-30 — — WO disclosed
Send feedback