SCHEMBL5771313

SCHEMBL5771313

Oc1cccc2[nH]c(CC3CC3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.49
GRIN3B O60391 2/20 0.49
GRIN1 Q05586 2/20 0.49
GRIN2A Q12879 2/20 0.49
GRIN2B Q13224 2/20 0.49
GRIN2C Q14957 2/20 0.49
GRIN3A Q8TCU5 2/20 0.49
HRH4 Q9H3N8 1/20 0.39
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
IDO1 P14902 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
DAO P14920 4/20 0.36
DDO Q99489 3/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL5770077 0.81 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3000197 0.78 IDO1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5768535 0.78 RHEB (0.51) HRH4IMPDH2IMPDH1IDO1DAO
SCHEMBL5769848 0.76 DAO (0.50) HRH4IMPDH2IMPDH1IDO1MTNR1A
SCHEMBL28352953 0.76 IMPDH2 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30120739 0.73 HTR2C (0.45) HRH4IMPDH2IMPDH1IDO1MTNR1A
SCHEMBL8088130 0.73 CTSV (0.44) HRH4IMPDH2IMPDH1IDO1MTNR1A
SCHEMBL9587971 0.72 ASH1L (0.44) HRH4IMPDH2IMPDH1IDO1MTNR1A
SCHEMBL9534359 0.72 KDM4E (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4653410 0.71 GPR84 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509515-A4 SUBSTITUTED 4-ARYL-4H-PYRROLO 2,3-H CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2006-07-05 EP disclosed
EP-1509515-A2 SUBSTITUTED 4-ARYL-4H-PYRROLO 2,3-H CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2005-03-02 EP disclosed
WO-2003097806-A2 SUBSTITUTED 4-ARYL-4H-PYRROLO[2,3-H]CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2003-11-27 WO disclosed