SCHEMBL8923105

SCHEMBL8923105

CCOC(=O)COP(=O)(CN[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnnn1CCC#N)OCC(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 11/20 0.46
NAALAD2 Q9Y3Q0 2/20 0.38
MME P08473 2/20 0.37
ECE1 P42892 1/20 0.37
AGTR2 P50052 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL8923115 1.00 GHSR (0.46) GHSRNAALAD2MMEECE1AGTR2
SCHEMBL8922575 0.85 GHSR (0.48) GHSRNAALAD2MMEECE1AGTR2
SCHEMBL8922585 0.85 GHSR (0.48) GHSRNAALAD2MMEECE1AGTR2
SCHEMBL8923880 0.83 GHSR (0.46) GHSRNAALAD2MMEECE1AGTR2
SCHEMBL8922494 0.83 GHSR (0.46) GHSRNAALAD2MMEECE1AGTR2
SCHEMBL9018517 0.80 GHSR (0.47) GHSRNAALAD2MMETRPV1
SCHEMBL8921655 0.77 GHSR (0.45) GHSRNAALAD2MMEECE1AGTR2
SCHEMBL8922872 0.77 MME (0.46) MMEECE1AGTR2KDM4EALDH1A1
SCHEMBL8922845 0.77 MME (0.46) MMEECE1AGTR2KDM4EALDH1A1
SCHEMBL8921747 0.75 GHSR (0.58) GHSRNAALAD2ALDH1A1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0660840-B1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA GEIGY AG (CH) 1997-05-07 EP disclosed
US-5550119-A ENDOTHELIN-CONVERTING ENZYM INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
EP-0660840-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES. CIBA GEIGY AG (CH) 1995-07-05 EP disclosed
WO-1994005677-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA-GEIGY AG (CH) 1994-03-17 WO disclosed
US-5273990-A 5-Phosphonomethyleneamino aryl-substitued alkylene-1H-tetazoles CIBA-GEIGY CORPORATION (US) 1993-12-28 US disclosed