SCHEMBL5773080

SCHEMBL5773080

CN(C)CC(=O)NCC1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.51
TSHR P16473 1/20 0.49
EPHX1 P07099 2/20 0.44
EPHX2 P34913 1/20 0.44
KDM1A O60341 1/20 0.43
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
HTR4 Q13639 4/20 0.38
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
CHRM1 P11229 3/20 0.36

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
Hydrochloric Acid SCHEMBL6403152 0.98 ALOX15 (0.50) ALOX15TSHREPHX1EPHX2KDM1A
SCHEMBL19009188 0.83 ALOX15 (0.49) ALOX15TSHREPHX1EPHX2KDM1A
SCHEMBL6496271 0.81 EPHX1 (0.42) TSHREPHX1
SCHEMBL14174884 0.81 TDP1 (0.42) EPHX1TDP1
SCHEMBL6190098 0.80 ALOX15 (0.56) ALOX15TSHREPHX1EPHX2KDM1A
SCHEMBL19502959 0.79 TDP1 (0.46) EPHX1TDP1SMYD3
SCHEMBL10153725 0.79 CYP2D6 (0.49) TDP1
SCHEMBL21796084 0.79 TDP1 (0.46) EPHX1TDP1SMYD3
SCHEMBL6189244 0.77 ALOX15 (0.53) ALOX15TSHREPHX1EPHX2KDM1A
SCHEMBL19502957 0.77 TDP1 (0.47) EPHX1TDP1

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