SCHEMBL11801976

SCHEMBL11801976

CN(CCC(=O)O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
EPHX2 P34913 4/20 0.41
ALOX5 P09917 1/20 0.41
OPRK1 P41145 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL11803547 0.89 EPHX2 (0.43) KDM4EHTTSIGMAR1GRIN2DGRIN3B
SCHEMBL3580028 0.79 KDM4E (0.44) KDM4EHTTGRIN2DGRIN3BGRIN1
SCHEMBL29839703 0.76 GRIN2D (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6937606 0.74 GRIN2D (0.43) KDM4EHTTSIGMAR1GRIN2DGRIN3B
SCHEMBL10700984 0.74 GRIN2D (0.52) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28905098 0.74 MAPT (0.40) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11804068 0.74 SMN1; SMN2 (0.46) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL11802220 0.73 KMT2A (0.45) KDM4ESIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL11804075 0.73 EPHX2 (0.50) EPHX2
Hydrochloric Acid SCHEMBL1677958 0.72 GRIN2D (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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-3941885-A N-ADAMANTANYL AMINO ALKANOIC ACID SCHERING CORPORATION (US) 1976-03-02 US disclosed
US-3941885-A N-ADAMANTANYL AMINO ALKANOIC ACID SCHERING CORPORATION (US) 1976-03-02 US disclosed