SCHEMBL2491070

SCHEMBL2491070

O=C1N2CCN=C2CC1(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
CNR1 P21554 2/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
BACE1 P56817 4/20 0.34
BACE2 Q9Y5Z0 3/20 0.34
APP P05067 2/20 0.34
REN P00797 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL4858523 0.68 RAB9A (0.47) SIGMAR1CNR1
SCHEMBL15657386 0.64 CFTR (0.45) BACE1
SCHEMBL10970570 0.60 BACE1 (0.43) TSHRBACE1BACE2POLB
SCHEMBL30929784 0.60 GRIN1 (0.57) CYP2D6TSHRBACE1BACE2APP
SCHEMBL2490664 0.59 SIGMAR1 (0.57) SIGMAR1TSHR
SCHEMBL13176744 0.58 POLB (0.47) SIGMAR1CNR1BACE1BACE2APP
SCHEMBL13700487 0.58 ALDH1A1 (0.34) CNR1
SCHEMBL810119 0.58 INMT (0.41) SIGMAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL22365592 0.58 MAPT (0.48) SIGMAR1BACE1BACE2
SCHEMBL19245411 0.57 TSHR (0.41) TSHR

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-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed