SCHEMBL11844902

SCHEMBL11844902

CCCCN=C(S)NCCCC

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.59
GRIN3B O60391 1/20 0.59
GRIN1 Q05586 1/20 0.59
GRIN2A Q12879 1/20 0.59
GRIN2B Q13224 1/20 0.59
GRIN2C Q14957 1/20 0.59
GRIN3A Q8TCU5 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
EPHX1 P07099 5/20 0.39
LMNA P02545 1/20 0.38
ACHE P22303 8/20 0.36
MMP2 P08253 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.33

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
SCHEMBL11844895 1.00 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7763248 0.92 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7760737 0.92 SIGMAR1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7760735 0.92 SIGMAR1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7760743 0.92 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7759978 0.92 SIGMAR1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7759982 0.92 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7763243 0.92 SIGMAR1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7759975 0.92 SIGMAR1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7763240 0.92 SIGMAR1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3994875-A CEPHALOSPORINS, PENICILLINS YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 1976-11-30 US disclosed
US-3948904-A ANTIBIOTICS YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 1976-04-06 US disclosed