SCHEMBL8921295

SCHEMBL8921295

O=P(O)(O)CN[C@@H](Cc1ccccc1)c1nnn[nH]1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 8/20 0.56
MME P08473 5/20 0.56
AGTR2 P50052 1/20 0.56
LAP3 P28838 3/20 0.44
ANPEP P15144 1/20 0.44
ACP3 P15309 1/20 0.40

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
SCHEMBL8921308 1.00 ECE1 (0.56) ECE1MMEAGTR2LAP3ANPEP
SCHEMBL653011 0.93 ECE1 (0.67) ECE1MMEAGTR2ACP3
SCHEMBL653010 0.93 ECE1 (0.67) ECE1MMEAGTR2ACP3
SCHEMBL8922982 0.83 ECE1 (0.39) ECE1MMEAGTR2LAP3ANPEP
SCHEMBL8922986 0.83 ECE1 (0.39) ECE1MMEAGTR2LAP3ANPEP
SCHEMBL8923661 0.82 ECE1 (0.44) ECE1MMEAGTR2
SCHEMBL8923644 0.82 ECE1 (0.44) ECE1MMEAGTR2
SCHEMBL13350885 0.82 MME (0.36) ECE1MMEAGTR2
SCHEMBL8922631 0.82 ECE1 (0.49) ECE1MMEAGTR2
SCHEMBL8922567 0.82 ECE1 (0.49) ECE1MMEAGTR2

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
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