SCHEMBL8921551

SCHEMBL8921551

Cc1cc(C)cc(OP(=O)(O)CNC(Cc2ccc(-c3ccccc3)cc2)c2nnn[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 10/20 0.47
MME P08473 9/20 0.47
AGTR2 P50052 1/20 0.47
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 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
SCHEMBL8923075 0.94 ECE1 (0.46) ECE1MMEAGTR2ADORA3ADORA2A
SCHEMBL8923069 0.94 ECE1 (0.46) ECE1MMEAGTR2ADORA3ADORA2A
SCHEMBL8920316 0.91 ECE1 (0.44) ECE1MMEAGTR2ADORA3ADORA2A
SCHEMBL8920954 0.90 ECE1 (0.52) ECE1MMEAGTR2
SCHEMBL8920944 0.90 ECE1 (0.52) ECE1MMEAGTR2
SCHEMBL8921967 0.88 MME (0.46) ECE1MMEAGTR2
SCHEMBL8921961 0.88 MME (0.46) ECE1MMEAGTR2
SCHEMBL8923159 0.86 MME (0.45) ECE1MMEAGTR2
SCHEMBL8923142 0.86 MME (0.45) ECE1MMEAGTR2
SCHEMBL8932548 0.84 ECE1 (0.43) ECE1MMEAGTR2ADORA3ADORA2A

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