SCHEMBL8799238

SCHEMBL8799238

C1CC2CCC1CN(CCC13CC4CC(CC(C4)C1)C3)C2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.45
GRIN3B O60391 4/20 0.45
GRIN1 Q05586 4/20 0.45
GRIN2A Q12879 4/20 0.45
GRIN2B Q13224 4/20 0.45
GRIN2C Q14957 4/20 0.45
GRIN3A Q8TCU5 4/20 0.45
EPHX2 P34913 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
GBA2 Q9HCG7 3/20 0.40
KDM4E B2RXH2 1/20 0.36
GBA1 P04062 2/20 0.36
ATM Q13315 1/20 0.36
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL8799246 0.81 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26778118 0.79 GBA2 (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31288968 0.72 MEN1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11697939 0.71 GRIN2D (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2529272 0.71 KDM4E (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12216277 0.71 KDM4E (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12551220 0.69 MEN1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8089848 0.69 SIGMAR1 (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10957944 0.66 GRIN2D (0.76) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18233561 0.65 CYP2D6 (0.41) GBA1CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650406-A ANTISCHIZOPHRENIC AGENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-07-22 US claimed
EP-0757040-A1 ADAMANTANE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1997-02-05 EP claimed
US-5650406-A ANTISCHIZOPHRENIC AGENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-07-22 US disclosed
EP-0757040-A1 ADAMANTANE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1997-02-05 EP disclosed