SCHEMBL8922585

SCHEMBL8922585

COP(=O)(CNC(Cc1ccc(-c2ccccc2)cc1)c1nnnn1CCC#N)OC

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 9/20 0.48
NAALAD2 Q9Y3Q0 1/20 0.40
MME P08473 2/20 0.38
ECE1 P42892 1/20 0.38
AGTR2 P50052 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL8922575 1.00 GHSR (0.48) GHSRNAALAD2MMEECE1AGTR2
SCHEMBL8922494 0.90 GHSR (0.46) GHSRNAALAD2MMEECE1AGTR2
SCHEMBL8923880 0.90 GHSR (0.46) GHSRNAALAD2MMEECE1AGTR2
SCHEMBL9018517 0.88 GHSR (0.47) GHSRNAALAD2MMETRPV1ERCC5
SCHEMBL8923105 0.85 GHSR (0.46) GHSRNAALAD2MMEECE1AGTR2
SCHEMBL8923115 0.85 GHSR (0.46) GHSRNAALAD2MMEECE1AGTR2
SCHEMBL8921655 0.82 GHSR (0.45) GHSRNAALAD2MMEECE1AGTR2
SCHEMBL7340088 0.80 GHSR (0.40) GHSRNAALAD2MMETRPV1ALDH1A1
SCHEMBL7340085 0.79 NAALAD2 (0.42) GHSRNAALAD2MMEECE1TRPV1
SCHEMBL8920614 0.78 GHSR (0.58) GHSRNAALAD2ALDH1A1TSHR

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 6 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
WO-1996026729-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES AS ECE INHIBITORS CIBA-GEIGY AG (CH) 1996-09-06 WO 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