SCHEMBL3243679

SCHEMBL3243679

COc1ccc2c(c1)CC1C3C(CCCN3C)C(=O)N21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.41
GRIN3B O60391 3/20 0.41
GRIN1 Q05586 3/20 0.41
GRIN2A Q12879 3/20 0.41
GRIN2B Q13224 3/20 0.41
GRIN2C Q14957 3/20 0.41
GRIN3A Q8TCU5 3/20 0.41
SLC6A4 P31645 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
CYP2D6 P10635 2/20 0.41
TSHR P16473 2/20 0.41
OPRM1 P35372 2/20 0.41
SLC22A1 O15245 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A2 P23975 1/20 0.41
TACR1 P25103 1/20 0.41
HTR2A P28223 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL3244854 0.84 SRD5A1 (0.37) OPRM1SLC6A2HTR2ASRD5A1
SCHEMBL3242670 0.84 NOTUM (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3242790 0.82 HRH3 (0.38) SIGMAR1
SCHEMBL3243594 0.81 NOTUM (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3236813 0.81 NOTUM (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3243592 0.81 NOTUM (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3242982 0.77 MEN1 (0.43) GRIN1GRIN2ACYP2D6TSHRSLC22A1
SCHEMBL11766808 0.68 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11766811 0.68 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11763635 0.68 GRIN2D (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102204-B1 NEW AMINOPYRROLO[1,2- A]INDOLE ET AMINOPYRIDAZINO[1,6-A]INDOLE DERIVATIVES, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SERVIER LAB (FR) 2010-05-05 EP disclosed