SCHEMBL7380892

SCHEMBL7380892

Cc1cc(N=C(N)Nc2cccc3ccccc23)ccc1Br.NC(=Nc1cccc(C(F)(F)F)c1)Nc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.46
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CRHR1 P34998 1/20 0.43
NPY5R Q15761 1/20 0.42

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
SCHEMBL6720859 0.89 SIGMAR1 (0.56) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6724366 0.88 SIGMAR1 (0.57) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6716940 0.80 SIGMAR1 (0.59) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6716925 0.80 SIGMAR1 (0.54) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL7203942 0.79 SIGMAR1 (0.57) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6716967 0.78 SIGMAR1 (0.56) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6719157 0.78 SIGMAR1 (0.61) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7347895 0.76 SIGMAR1 (0.52) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7380890 0.74 RXFP1 (0.49) POLBMEN1KMT2ATDP1NPY5R
SCHEMBL6717032 0.74 SIGMAR1 (0.53) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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
US-5190976-A Neuroprotective STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND UNIVERSITY OF OREGON (US) 1993-03-02 US disclosed