SCHEMBL9457464

SCHEMBL9457464

NCC1(N)CC2CCC1C2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.37
GRIN3B O60391 3/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2A Q12879 3/20 0.37
GRIN2B Q13224 3/20 0.37
GRIN2C Q14957 3/20 0.37
GRIN3A Q8TCU5 3/20 0.37
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
STAT6 P42226 1/20 0.31
SLC47A1 Q96FL8 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ALOX5AP P20292 1/20 0.30

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
Hydrochloric Acid SCHEMBL9457536 0.98 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9457622 0.92 GRIN2D (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Water SCHEMBL9458163 0.90 GRIN2D (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL9457683 0.86 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7702618 0.82 ALOX5AP (0.35) ALOX5AP
SCHEMBL9913257 0.82 GRIN2D (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9457702 0.80 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9458302 0.80 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL9457726 0.77 GRIN2D (0.30) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19144766 0.77

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
WO-1993023410-A1 NOVEL PLATINUM (IV) DERIVATIVES, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRE ROGER BELLON (FR) 1993-11-25 WO disclosed
US-5225207-A Complexes derived from platinum, their preparation and the pharmaceutical compositions which contain them LABORATOIRE ROGER BELLON (FR) 1993-07-06 US disclosed