SCHEMBL7306720

SCHEMBL7306720

O=C(O)c1ccc(NC(=O)C(Cc2ccc(-c3ccccc3)cc2)NC(c2ccccc2)P(=O)(O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.47
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
NR1H4 Q96RI1 2/20 0.44
USP30 Q70CQ3 1/20 0.44
ADCY6 O43306 1/20 0.44
ADCY3 O60266 1/20 0.44
ADCY9 O60503 1/20 0.44
ADCY5 O95622 1/20 0.44
ADCY8 P40145 1/20 0.44
GCGR P47871 1/20 0.44
ADCY7 P51828 1/20 0.44
ADCY2 Q08462 1/20 0.44
ADCY1 Q08828 1/20 0.44
ADCY4 Q8NFM4 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
CRHBP P24387 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL7312109 0.83 MME (0.52) ACP3ADRB1ADRB3NR1H4USP30
SCHEMBL7312117 0.83 MME (0.52) ACP3ADRB1ADRB3NR1H4USP30
SCHEMBL8932449 0.81 ACP3 (0.58) ACP3MMEACE2
SCHEMBL7308004 0.79 USP30 (0.54) ADRB1ADRB3NR1H4USP30ADCY6
SCHEMBL7410900 0.79 MME (0.47) ACP3SMN1; SMN2CYP2C9MMEACE2
SCHEMBL7310433 0.78 MMEL1 (0.60) ACP3MME
SCHEMBL7315625 0.77 USP30 (0.48) ADRB1ADRB3NR1H4USP30ADCY6
SCHEMBL7309923 0.77 GCGR (0.54) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7315627 0.76 ACP3 (0.43) ACP3ADRB1ADRB3NR1H4USP30
SCHEMBL7322645 0.76 MMEL1 (0.52) ACP3

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-0511940-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1992-11-04 EP claimed
EP-0592367-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1994-04-13 EP disclosed
US-5294632-A Diuretics and vasorelaxants CIBA-GEIGY CORPORATION (US) 1994-03-15 US disclosed
EP-0511940-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1992-11-04 EP disclosed
US-5155100-A Treating cardiovascular disorders in mammals CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed