SCHEMBL8928325

SCHEMBL8928325

O=P(O)(O)C(Cc1ccccc1)N1CCN(C(Cc2ccccc2)P(=O)(O)O)CCN(C(Cc2ccccc2)P(=O)(O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 5/20 0.53
ANPEP P15144 4/20 0.53
ACP3 P15309 4/20 0.51
IDO1 P14902 1/20 0.45
LMNA P02545 1/20 0.44
CHRM1 P11229 1/20 0.43
ERAP1 Q9NZ08 2/20 0.42
ERAP2 Q6P179 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL4074290 0.79 IDO1 (0.43) LAP3ANPEPACP3IDO1LMNA
SCHEMBL11295162 0.75 ALDH1A1 (0.58) LAP3ANPEPACP3LMNATSHR
SCHEMBL2934111 0.74 SLC6A4 (0.46) LAP3CYP3A4CYP2D6
SCHEMBL7158870 0.72 LAP3 (0.64) LAP3ANPEPACP3ERAP1ERAP2
SCHEMBL7742563 0.72 LAP3 (0.64) LAP3ANPEPACP3ERAP1ERAP2
SCHEMBL10714585 0.71 LAP3 (0.62) LAP3ANPEPACP3ERAP1ERAP2
SCHEMBL27481841 0.71 LAP3 (0.62) LAP3ANPEPACP3ERAP1ERAP2
SCHEMBL2375608 0.69 LAP3 (1.00) LAP3ANPEPACP3ERAP1ERAP2
SCHEMBL7529859 0.69 LAP3 (0.78) LAP3ANPEPACP3ERAP1ERAP2
SCHEMBL10710542 0.69 LAP3 (0.60) LAP3ANPEPACP3ERAP1ERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5593659-A IN THE FORM OF PHYSIOLOGICALLY ACCEPTABLE SALTS; MEDICAL DIAGNOSIS; WATER SOLUBLE, NONTOXIC CONCAT, LTD. (US) 1997-01-14 US disclosed
EP-0513000-B1 MRI IMAGE ENHANCEMENT OF BONE AND RELATED TISSUE USING COMPLEXES OF PARAMAGNETIC CATIONS AND POLYPHOSPHONATE LIGANDS CONCAT LTD (US) 1996-07-31 EP disclosed
US-5380515-A CONTRAST CONCAT, LTD. (US) 1995-01-10 US disclosed
US-5236695-A Medical diagnosis CONCAT, LTD. (US) 1993-08-17 US disclosed
EP-0513000-A1 MRI IMAGE ENHANCEMENT OF BONE AND RELATED TISSUE USING COMPLEXES OF PARAMAGNETIC CATIONS AND POLYPHOSPHONATE LIGANDS. CONCAT LTD (US) 1992-11-19 EP disclosed
EP-0513000-A4 MRI IMAGE ENHANCEMENT OF BONE AND RELATED TISSUE USING COMPLEXES OF PARAMAGNETIC CATIONS AND POLYPHOSPHONATE LIGANDS. CONCAT LTD (US) 1992-09-01 EP disclosed
WO-1991007911-A1 MRI IMAGE ENHANCEMENT OF BONE AND RELATED TISSUE USING COMPLEXES OF PARAMAGNETIC CATIONS AND POLYPHOSPHONATE LIGANDS CONCAT LTD. (US) 1991-06-13 WO disclosed