SCHEMBL1939260

SCHEMBL1939260

CCC(C)(CC)C12CC3CC(CC(N)(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 7/20 0.52
GRIN2A Q12879 7/20 0.52
GRIN2D O15399 6/20 0.52
GRIN3B O60391 6/20 0.52
GRIN2B Q13224 6/20 0.52
GRIN2C Q14957 6/20 0.52
GRIN3A Q8TCU5 6/20 0.52
PKM P14618 1/20 0.41
POLB P06746 2/20 0.39
LMNA P02545 4/20 0.38
SLC22A1 O15245 2/20 0.38
NFKB1 P19838 2/20 0.38
SLC22A2 O15244 1/20 0.38
TSHR P16473 1/20 0.38
STAT6 P42226 1/20 0.38
SLC47A1 Q96FL8 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
PMP22 Q01453 2/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 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
SCHEMBL7461656 0.82 GRIN2D (0.49) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL7458501 0.80 GRIN2D (0.50) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL11637175 0.79 GRIN1 (0.47) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL6003457 0.72 PKM (0.47) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL7458749 0.71 GRIN2D (0.49) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Hydrochloric Acid SCHEMBL27688881 0.71 LMNA (0.46) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL12130587 0.70 GRIN1 (0.65) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL9914296 0.70 GRIN1 (0.65) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL8720366 0.70 GRIN1 (0.65) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL12132159 0.70 GRIN1 (0.65) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B

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
EP-2331495-A1 PROCESS FOR MANUFACTURING ADAMANTANE DERIVATIVES WITH HIGH YIELD Merz Pharma GmbH & Co. KGaA (DE) 2011-06-15 EP disclosed
WO-2010015415-A1 PROCESS FOR MANUFACTURING ADAMANTANE DERIVATIVES WITH HIGH YIELD MERZ PHARMA GMBH & CO. KGAA (DE) 2010-02-11 WO disclosed