SCHEMBL3517526

SCHEMBL3517526

N#Cc1ccc(CC(c2cnc[nH]2)N2CCN(C(=O)C3(c4cccc(Oc5ccccc5)c4)CCCC3)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
CPA1 P15085 1/20 0.35
MGLL Q99685 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 3/20 0.34
TSHR P16473 3/20 0.34
USP2 O75604 2/20 0.34
CYP19A1 P11511 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 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
SCHEMBL3518402 0.92 OPRD1 (0.38) FNTAFNTBPGGT1BHRH3CYP3A4
SCHEMBL3515229 0.91 MEN1 (0.42) CPA1SIGMAR1MEN1KMT2ATSHR
SCHEMBL7555138 0.84 CYP3A4 (0.44) HRH3MEN1KMT2ACYP3A4TSHR
SCHEMBL3517536 0.82 PIN1 (0.41) FNTAFNTBPGGT1BCPA1CYP19A1
SCHEMBL7560886 0.78 CYP11B1 (0.33) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL7156162 0.77 CYP19A1 (0.42) HRH3CPA1CYP19A1
SCHEMBL3500628 0.76 FNTA (0.54) FNTAFNTBPGGT1BCPA1CYP19A1
SCHEMBL3505356 0.76 FNTA (0.59) FNTAFNTBPGGT1B
SCHEMBL7186697 0.74 FNTA (0.47) FNTAFNTBPGGT1BMGLL
SCHEMBL7483971 0.73 FNTA (0.47) FNTAFNTBPGGT1BMEN1KMT2A

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-2000059930-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-10-12 WO claimed
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-1165082-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP disclosed
EP-1165082-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-01-02 EP disclosed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO disclosed
WO-2000051611-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO disclosed