SCHEMBL4566908

SCHEMBL4566908

COC(=O)C(C)(C(=O)OC)c1ccc2c(c1)CN(c1ccccn1)CCO2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 7/20 0.40
CREBBP Q92793 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL4566910 0.85 GRIN2D (0.39) GPR142CREBBPHSD17B10TSHRKDM4E
SCHEMBL1997491 0.78 GPR142 (0.40) GPR142CREBBPCYP3A4CYP2D6HSD17B10
SCHEMBL1990022 0.77 HSD17B10 (0.40) GPR142CREBBPCYP3A4CYP2D6HSD17B10
SCHEMBL14488592 0.75 BCHE (0.50) GPR142GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1989631 0.73 GRIN2D (0.46) GPR142CREBBPHSD17B10KDM4EGRIN2D
SCHEMBL6125959 0.73 GRIN2D (0.60) CYP3A4CYP2D6HSD17B10TSHRCYP2C19
SCHEMBL802575 0.73 MAPT (0.43) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1990025 0.71 CHRM4 (0.40) HSD17B10TSHRKDM4EGRIN2DGRIN3B
SCHEMBL17957691 0.70 KDM4E (0.47) HSD17B10KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL1997496 0.70 MEN1 (0.40) HSD17B10KDM4EGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2077846-A2 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE Piramal Life Sciences Limited (IN) 2009-07-15 EP disclosed
WO-2008053446-A2 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2008-05-08 WO disclosed