SCHEMBL8299739

SCHEMBL8299739

CCN1CCC[C@H](C(=O)OCCc2ccccn2)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.52
CHRM1 P11229 1/20 0.52
ALDH1A1 P00352 7/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FKBP1A P62942 1/20 0.49
KDM4E B2RXH2 4/20 0.49
BRD4 O60885 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL8103609 0.85 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KDM4EBRD4L3MBTL1
SCHEMBL8301712 0.76 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4EBRD4L3MBTL1
SCHEMBL8097066 0.75 SLC6A1 (0.57) ALDH1A1L3MBTL1
SCHEMBL13804381 0.73 KDM4E (0.63) ALDH1A1SMN1; SMN2KDM4EL3MBTL1ATM
SCHEMBL8438204 0.73 KDM4E (0.63) ALDH1A1SMN1; SMN2KDM4EL3MBTL1ATM
SCHEMBL14874211 0.73 KDM4E (0.63) ALDH1A1SMN1; SMN2KDM4EL3MBTL1ATM
Hydrochloric Acid SCHEMBL28558936 0.71 KDM4E (0.61) ALDH1A1SMN1; SMN2KDM4EL3MBTL1ATM
SCHEMBL20502983 0.71 KDM4E (0.51) ALDH1A1SMN1; SMN2KDM4EL3MBTL1ATM
SCHEMBL1899356 0.71 CA12 (0.50) CHRM5CHRM1SMN1; SMN2FKBP1AL3MBTL1
SCHEMBL3985142 0.71 HRH3 (0.46) ALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862435-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 EP disclosed
EP-0862435-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-09-09 EP disclosed
WO-1997018813-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-05-29 WO disclosed