SCHEMBL6929078

SCHEMBL6929078

NNC(=O)C1(C(=O)NN)CC2C=CC1C2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
P2RX7 Q99572 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL17274482 0.79 CYP2D6 (0.36) CYP2D6CYP2C19
SCHEMBL9079943 0.76 CYP2D6 (0.37) CYP2D6CYP2C19
SCHEMBL6429482 0.76 CYP2D6 (0.37) CYP2D6CYP2C19
SCHEMBL7211598 0.74 CYP2D6 (0.37) CYP2D6CYP2C19P2RX7
SCHEMBL7703026 0.70 MAPT (0.37) CYP2D6CYP2C19P2RX7
SCHEMBL7211051 0.67 CYP2C19 (0.41) CYP2D6CYP2C19
SCHEMBL11703278 0.66 CYP2D6 (0.37) CYP2D6CYP2C19
SCHEMBL11703272 0.66 CYP2D6 (0.37) CYP2D6CYP2C19
SCHEMBL7211020 0.65 CYP2D6 (0.39) CYP2D6CYP2C19MEN1KMT2A
SCHEMBL3021932 0.64 CYP2D6 (0.38) CYP2D6CYP2C19

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-1012208-A4 CROSS-LINKED PARTICLES ACCESS PHARMACEUTICALS AUSTRAL (AU) 2003-06-18 EP disclosed
US-6221397-B1 POLYMER CONTAINING REACTIVE GROUPS SELECTED FROM THE GROUP CONSISTING OF CARBOXYL, HYDRAZIDYL, AMINO AND THIOL GROUPS, COVALENTLY LINKED TO A DIHYDRAZIDE SPACER BIOTECH AUSTRALIA PTY LIMITED (AU) 2001-04-24 US disclosed
EP-1012208-A1 CROSS-LINKED PARTICLES BIOTECH AUSTRALIA PTY. LIMITED (AU) 2000-06-28 EP disclosed
WO-1999011703-A1 CROSS-LINKED PARTICLES BIOTECH AUSTRALIA PTY. LIMITED (US) 1999-03-11 WO disclosed