SCHEMBL4769338

SCHEMBL4769338

CN1CCN(C(C=O)N2CCC(c3ccc(N)cc3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ADRA2C P18825 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
PTK2B Q14289 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
SCHEMBL4765378 0.84 ADRA2C (0.41) ADRA2CQDPRKCNH2HRH3HTR1D
SCHEMBL28772336 0.81 LMNA (0.40) SLC18A3HDAC3HDAC4HDAC1HDAC7
SCHEMBL27928432 0.80 SLC18A3 (0.43) SLC18A3HDAC3HDAC4HDAC1HDAC7
SCHEMBL158531 0.78 QDPR (0.55) SLC18A3HDAC3HDAC4HDAC1HDAC7
SCHEMBL4768850 0.76 SLC18A3 (0.40) SLC18A3HDAC3HDAC4HDAC1HDAC7
SCHEMBL15651723 0.75 SLC18A3 (0.40) SLC18A3HDAC3HDAC4HDAC1HDAC7
SCHEMBL28776171 0.74 SLC18A3 (0.39) SLC18A3ESRRGLSSKCNH2HRH3
SCHEMBL1475617 0.74 ESRRG (0.55) SLC18A3ALDH1A1ESRRGKDM1AKCNH2
SCHEMBL15652128 0.73 ESRRG (0.38) SLC18A3HDAC3HDAC4HDAC1HDAC7
SCHEMBL28772334 0.73 ALDH1A1 (0.42) SLC18A3HDAC3HDAC4HDAC1HDAC7

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-1937681-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-02 EP disclosed
WO-2007033232-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-03-22 WO disclosed