SCHEMBL8735121

SCHEMBL8735121

O=P(O)(O)CCCN1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.55
GRIN3B O60391 2/20 0.55
THRB P10828 2/20 0.55
GRIN1 Q05586 2/20 0.55
GRIN2A Q12879 2/20 0.55
GRIN2B Q13224 2/20 0.55
GRIN2C Q14957 2/20 0.55
GRIN3A Q8TCU5 2/20 0.55
HSD17B10 Q99714 2/20 0.55
LMNA P02545 2/20 0.55
CYP1A2 P05177 1/20 0.55
ALOX15 P16050 1/20 0.55
CYP2C19 P33261 1/20 0.55
RECQL P46063 1/20 0.55
ANPEP P15144 1/20 0.49
ERAP2 Q6P179 1/20 0.49
CXCR4 P61073 2/20 0.47
TYMS P04818 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
POLB P06746 1/20 0.39

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
SCHEMBL25226579 0.94 GRIN2D (0.50) GRIN2DGRIN3BTHRBGRIN1GRIN2A
SCHEMBL7449088 0.88 ANPEP (0.51) GRIN2DGRIN3BTHRBGRIN1GRIN2A
SCHEMBL13992928 0.86 ANPEP (0.50) GRIN2DGRIN3BTHRBGRIN1GRIN2A
SCHEMBL10653943 0.85 ANPEP (0.48) GRIN2DGRIN3BTHRBGRIN1GRIN2A
SCHEMBL5669350 0.85 ANPEP (0.48) GRIN2DGRIN3BTHRBGRIN1GRIN2A
SCHEMBL9709649 0.81 HRH3 (0.48) GRIN2DGRIN3BTHRBGRIN1GRIN2A
SCHEMBL14444591 0.80 CXCR4 (0.47) GRIN2DGRIN3BTHRBGRIN1GRIN2A
Phosphoric Acid SCHEMBL31591102 0.78 S1PR1 (0.50) ANPEPERAP2CXCR4SIGMAR1MEN1
SCHEMBL6667225 0.76 CHRM2 (0.46) LMNAANPEPERAP2CXCR4SIGMAR1
SCHEMBL18985137 0.76 CXCR4 (0.43) GRIN2DGRIN3BTHRBGRIN1GRIN2A

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-0603301-B1 PHARMACEUTICAL PREPARATION CONTAINING AN URICOSURIC AND AN EXCITATORY AMINO ACID ANTAGONIST WARNER LAMBERT CO (US) 1998-01-14 EP claimed