SCHEMBL6267285

SCHEMBL6267285

CC(C)C[C@H](NC(=O)CP(=O)(O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 3/20 0.51
ERAP1 Q9NZ08 3/20 0.51
LNPEP Q9UIQ6 3/20 0.51
PTPN1 P18031 3/20 0.46
PTPN2 P17706 1/20 0.46
REN P00797 1/20 0.46
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
NPY4R P50391 1/20 0.45
NPY5R Q15761 1/20 0.45
CCR1 P32246 1/20 0.45
MMP1 P03956 1/20 0.45
OPRD1 P41143 1/20 0.45
CPA1 P15085 1/20 0.45
CPB1 P15086 1/20 0.45
CPA2 P48052 1/20 0.45
CPA4 Q9UI42 1/20 0.45
ACE P12821 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
KISS1R Q969F8 2/20 0.45

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
SCHEMBL6272641 1.00 ERAP2 (0.51) ERAP2ERAP1LNPEPPTPN1PTPN2
SCHEMBL6269554 0.86 REN (0.56) ERAP2ERAP1LNPEPRENACE2
SCHEMBL9854712 0.80 REN (0.52) PTPN1RENCCR1MMP1KISS1R
SCHEMBL6270159 0.79 REN (0.49) ERAP2ERAP1LNPEPRENACE2
SCHEMBL6270870 0.78 ERAP2 (0.49) ERAP2ERAP1LNPEPPTPN1PTPN2
SCHEMBL6271560 0.78 CPA1 (0.50) ERAP2ERAP1LNPEPRENCPA1
SCHEMBL6275432 0.78 ERAP2 (0.49) ERAP2ERAP1LNPEPPTPN1PTPN2
SCHEMBL6273199 0.77 CPA1 (0.47) ERAP2ERAP1LNPEPCPA1CPB1
SCHEMBL6273945 0.76 F2 (0.58) ERAP2ERAP1LNPEPPTPN1PTPN2
SCHEMBL18064454 0.76 CCR1 (0.58) RENCCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005105843-A2 HIV PROTEASE INHIBITORS ARPIDA A/S (DK) 2005-11-10 WO claimed
WO-2005105843-A2 HIV PROTEASE INHIBITORS ARPIDA A/S (DK) 2005-11-10 WO disclosed