SCHEMBL7174206

SCHEMBL7174206

Br[C@@H]1Cc2ccccc2[C@@H]1Br

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
KDM1A O60341 4/20 0.41
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
OPRM1 P35372 1/20 0.40
HTR2A P28223 1/20 0.38
SIGMAR1 Q99720 2/20 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
SCHEMBL7130225 1.00 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7174207 1.00 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7178967 1.00 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8382393 0.77 ANPEP (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7887552 0.77 ANPEP (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7876288 0.77 ANPEP (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30308811 0.77 ANPEP (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7882223 0.77 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL383562 0.77 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7353711 0.77 GRIN2D (0.39) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0816317-B1 PROCESS FOR PRODUCING TRANS-2-BROMOINDAN-1-OL ICHIKAWA GOSEI KAGAKU KK (JP) 2003-08-20 EP disclosed
EP-1035095-A1 Method for making 1,2-Dibromoindane Ichikawa Gosei Chemical Co., Ltd. (JP) 2000-09-13 EP disclosed
US-5841000-A CONTINUOUSLY HYDROLYZING 1,2-DIBROMOINDANE WITHOUT ISOLATING IT ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1998-11-24 US disclosed
EP-0816317-A1 PROCESS FOR PRODUCING TRANS-2-BROMOINDAN-1-OL ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1998-01-07 EP disclosed