SCHEMBL8485012

SCHEMBL8485012

COC(=O)CN1CCN(N2CCC(Cc3ccccc3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.54
GRIN2B Q13224 2/20 0.54
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
ACHE P22303 1/20 0.51
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL27500330 0.88 CARM1 (0.52)
SCHEMBL27499401 0.86 ALDH1A1 (0.56) MEN1ALDH1A1KMT2ASMN1; SMN2GAA
SCHEMBL8485320 0.85 GRIN2D (0.56) GRIN1GRIN2BMEN1ALDH1A1KMT2A
SCHEMBL27484312 0.85 ALDH1A1 (0.54) MEN1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL4578817 0.79 L3MBTL1 (0.64) GRIN1GRIN2BMEN1ALDH1A1KMT2A
SCHEMBL28994557 0.79 PRMT6 (0.60)
SCHEMBL27499402 0.78 ALDH1A1 (0.57) MEN1ALDH1A1KMT2ACYP2C9CYP2C19
Acetic Acid Methyl Ester SCHEMBL27485712 0.78 ALDH1A1 (0.53) MEN1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL572327 0.78 ALDH1A1 (0.62) MEN1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL18412548 0.78 KDM4E (0.50) GRIN1GRIN2BMEN1ALDH1A1KMT2A

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
US-5922717-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed