SCHEMBL752311

SCHEMBL752311

CC(C)c1ccc(Cc2ccc(C(C)C)c(N=C=O)c2C(C)C)c(C(C)C)c1N=C=O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL159676 0.79 CYP3A4 (0.37) GABRA1GABRB2CYP3A4
SCHEMBL7616902 0.78 GABRA1 (0.38) GABRA1GABRB2
SCHEMBL20609875 0.78 GABRA1 (0.34) GABRA1GABRB2CYP3A4
SCHEMBL21810673 0.78 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL580427 0.76 CYP3A4 (0.37) GABRA1GABRB2CYP3A4TSHR
SCHEMBL194319 0.74 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL112208 0.74 CYP3A4 (0.38) GABRA1GABRB2CYP3A4
SCHEMBL28150600 0.73 GABRA1 (0.44) GABRA1GABRB2
SCHEMBL191769 0.72 GABRA1 (0.50) GABRA1GABRB2CYP3A4TSHR
SCHEMBL16865726 0.72 GABRA1 (0.30) GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430062-B2 METHOD FOR PRODUCING CARBODIIMIDES LANXESS DEUTSCHLAND GMBH (DE) 2019-07-10 EP claimed
EP-2430062-B1 METHOD FOR PRODUCING CARBODIIMIDES RHEIN CHEMIE RHEINAU GMBH (DE) 2016-09-07 EP claimed
US-20120123062-A1 Process for preparing carbodiimides RHEIN CHEMIE RHEINAU GMBH (DE) 2012-05-17 US claimed
EP-2430062-B2 METHOD FOR PRODUCING CARBODIIMIDES LANXESS DEUTSCHLAND GMBH (DE) 2019-07-10 EP disclosed
EP-2430062-B1 METHOD FOR PRODUCING CARBODIIMIDES RHEIN CHEMIE RHEINAU GMBH (DE) 2016-09-07 EP disclosed
US-20120123062-A1 Process for preparing carbodiimides RHEIN CHEMIE RHEINAU GMBH (DE) 2012-05-17 US disclosed
EP-2430062-A1 METHOD FOR PRODUCING CARBODIIMIDES Rhein Chemie Rheinau GmbH (DE) 2012-03-21 EP disclosed
WO-2010130594-A1 METHOD FOR PRODUCING CARBODIIMIDES RHEIN CHEMIE RHEINAU GMBH (DE) 2010-11-18 WO disclosed