SCHEMBL4444191

SCHEMBL4444191

Cc1nc(C)c(CC2=CCc3ccccc32)nc1C

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.49
PDE10A Q9Y233 1/20 0.31
CYP2D6 P10635 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL7618202 0.77 HTR6 (0.67) HTR6CYP2D6HRH1
SCHEMBL30733631 0.73 HTR6 (0.54) HTR6
SCHEMBL21274261 0.73 HTR6 (0.54) HTR6
SCHEMBL6266335 0.72 HTR6 (0.71) HTR6
SCHEMBL6130448 0.71 HTR6 (0.74) HTR6
SCHEMBL6552816 0.70 HTR6 (0.53) HTR6
SCHEMBL31121639 0.69 HTR6 (0.56) HTR6
SCHEMBL2338975 0.69 HTR6 (0.56) HTR6
SCHEMBL17559540 0.69 HTR6 (0.49) HTR6
SCHEMBL28020220 0.69 HTR6 (0.57) HTR6CYP2D6HRH1

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
US-7534847-B2 Copolymers of ethylene with α-olefins BASELL POLYOLEFINE GMBH (DE) 2009-05-19 US disclosed
US-20050282979-A1 Copolymers of ethylene with alpha-olefins BASELL POLYOLEFINE GMBH (DE) 2005-12-22 US disclosed
EP-1572755-A2 COPOLYMERS OF ETHYLENE WITH ALPHA-OLEFINS Basell Polyolefine GmbH (DE) 2005-09-14 EP disclosed
WO-2004056878-A2 COPOLYMERS OF ETHYLENE WITH α-OLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-07-08 WO disclosed