SCHEMBL3517223

SCHEMBL3517223

COc1cccc(C(=O)N2CCN(C(Cc3ccc(C#N)cc3)c3cnc[nH]3)CC2)c1C1CC2CC2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.35
FNTB P49356 6/20 0.35
PGGT1B P53609 1/20 0.34
TACR3 P29371 1/20 0.34
TSHR P16473 2/20 0.33
FASN P49327 2/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK7 Q13164 1/20 0.33

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
SCHEMBL3501100 0.80 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL7483971 0.79 FNTA (0.47) FNTAFNTBPGGT1BALDH1A1LMNA
Hydrochloric Acid SCHEMBL7482278 0.78 FNTA (0.47) FNTAFNTBPGGT1BALDH1A1LMNA
SCHEMBL7594805 0.78 FASN (0.45) TSHRFASNUSP2ALDH1A1SMN1; SMN2
SCHEMBL7480201 0.78 MAPK14 (0.46) FNTAFNTBPGGT1BKCNH2
SCHEMBL7483881 0.78 FNTA (0.38) FNTAFNTBPGGT1BABCG2
SCHEMBL3517536 0.78 PIN1 (0.41) FNTAFNTBPGGT1BTACR3
SCHEMBL7492267 0.77 HCRTR1 (0.35) FNTAFNTBKCNH2ABCG2
SCHEMBL7192580 0.77 FNTA (0.58) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7748868 0.77 FNTA (0.38) FNTAFNTBPGGT1BABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO claimed
WO-2000059930-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-10-12 WO claimed
WO-2010057028-A2 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-05-20 WO disclosed
EP-2155197-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES Link Medicine Corporation (US) 2010-02-24 EP disclosed
WO-2008112525-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES LINK MEDICINE CORPORATION (US) 2008-09-18 WO disclosed
EP-1744751-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-01-24 EP disclosed
WO-2005089502-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO disclosed