SCHEMBL7658608

SCHEMBL7658608

Cc1ncc(C(Cc2ccc(C#N)cc2)N2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
PGGT1B P53609 1/20 0.52
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PANK3 Q9H999 1/20 0.39
EPHX2 P34913 5/20 0.39
LMNA P02545 4/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 3/20 0.37
UCHL1 P09936 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7588753 0.85 FNTA (0.55) FNTAFNTBPGGT1BALDH1A1KDM4E
SCHEMBL7668376 0.76 SLC6A4 (0.44) SMN1; SMN2TSHR
SCHEMBL7473670 0.74 KIT (0.40) PANK3
SCHEMBL7461869 0.74 FNTA (0.46) FNTAFNTBPGGT1BEPHX2CYP2C9
SCHEMBL7530778 0.74 TRPV1 (0.40)
SCHEMBL7528341 0.71 FNTA (0.59) FNTAFNTBPGGT1B
SCHEMBL6913123 0.71 TRIM24 (0.35) FNTAFNTBPANK3
SCHEMBL7465336 0.71 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL7464354 0.70 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL7650231 0.70 FNTA (0.60) FNTAFNTBPGGT1B

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
US-6335343-B1 IMIDAZOL-5-YLALKYLPIPERIZINE DERIVATIVES; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-01-01 US claimed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO claimed
US-6335343-B1 IMIDAZOL-5-YLALKYLPIPERIZINE DERIVATIVES; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-01-01 US disclosed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO disclosed