SCHEMBL5771372

SCHEMBL5771372

NC(=O)CCC1CCN(Cc2cccnc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.58
CACNA1I Q9P0X4 1/20 0.54
CHRNB2 P17787 1/20 0.54
CHRNA4 P43681 1/20 0.54
CHRM4 P08173 1/20 0.53
BCHE P06276 2/20 0.53
SIGMAR1 Q99720 1/20 0.53
KDM4E B2RXH2 2/20 0.52
KMT2A Q03164 1/20 0.51
PARP1 P09874 1/20 0.51
PARP2 Q9UGN5 1/20 0.51
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
DRD4 P21917 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL5773896 0.87 VNN1 (0.58) ACHECACNA1ICHRNB2CHRNA4CHRM4
SCHEMBL26096555 0.84 ACHE (0.72) ACHEBCHE
SCHEMBL12120543 0.83 CHRNB2 (0.60) ACHECACNA1ICHRNB2CHRNA4CHRM4
SCHEMBL4379439 0.82 KMT2A (0.61) CACNA1ICHRNB2CHRNA4SIGMAR1KDM4E
SCHEMBL14393395 0.80 CHRNB2 (0.60) ACHECACNA1ICHRNB2CHRNA4CHRM4
SCHEMBL23028620 0.80 CHRNB2 (0.64) CACNA1ICHRNB2CHRNA4SIGMAR1KDM4E
SCHEMBL29508484 0.80 CHRNB2 (0.64) CACNA1ICHRNB2CHRNA4SIGMAR1KDM4E
SCHEMBL8146918 0.80 CHRM4 (0.63) ACHECACNA1ICHRM4SIGMAR1
SCHEMBL2868175 0.79 SIGMAR1 (0.58) ACHECACNA1ICHRNB2CHRNA4CHRM4
SCHEMBL10041824 0.79 CHRNB2 (0.62) CHRNB2CHRNA4SIGMAR1KDM4EPARP1

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
EP-0931078-B1 NOVEL TRICYCLIC PIPERIDINYL COMPOUNDS USEFUL AS INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORP (US) 2006-11-15 EP disclosed
US-5965570-A PHARMACEUTICAL COMPOSITIONS FOR INHIBITING THE ABNORMAL GROWTH OF CELLS; ADMINISTERING TO INHIBIT TUMOR CELLS WHEREIN THE RAS PROTEIN IS ACTIVATED AS A RESULT OF ONCOGENIC MUTATION IN GENES OTHER THAN THE RAS GENE SCHERING CORPORATION (US) 1999-10-12 US disclosed
EP-0931078-A1 NOVEL TRICYCLIC PIPERIDINYL COMPOUNDS USEFUL AS INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1999-07-28 EP disclosed
WO-1998011098-A1 NOVEL TRICYCLIC PIPERIDINYL COMPOUNDS USEFUL AS INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1998-03-19 WO disclosed