SCHEMBL5773892

SCHEMBL5773892

O=C(CC1CCNCC1)NCc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
HPGD P15428 2/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
RECQL P46063 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 2/20 0.51
GAA P10253 2/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP17A1 P05093 1/20 0.49
CYP19A1 P11511 1/20 0.49
HSD11B1 P28845 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
SCHEMBL5771366 0.88 MAPT (0.60) MAPTHPGDALDH1A1CYP3A4CYP1A2
SCHEMBL5265103 0.84 RAB9A (0.73) HPGDALDH1A1NPC1RAB9AGAA
Hydrochloric Acid SCHEMBL1532746 0.82 RAB9A (0.71) HPGDALDH1A1NPC1RAB9AGAA
SCHEMBL8706600 0.82 CYP1A2 (0.57) KDM4EALDH1A1CYP1A2RECQLHTT
SCHEMBL26668492 0.82 RAB9A (0.61) HPGDKDM4EALDH1A1RECQLNPC1
SCHEMBL4379441 0.82 ALDH1A1 (0.63) MAPTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL30584931 0.82 ALDH1A1 (0.63) MAPTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL20088427 0.81 GLS (0.48) HPGDALDH1A1RECQLNPC1RAB9A
SCHEMBL4672942 0.76 RAB9A (0.74) HPGDALDH1A1CYP2C9CYP2C19NPC1
SCHEMBL15850914 0.76 RAB9A (0.46) CYP3A4NPC1RAB9ASMN1; SMN2

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