SCHEMBL7986645

SCHEMBL7986645

CCCCCc1nc(CC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)c2ccc3c(c2)OCO3)cn1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.45
ERAP2 Q6P179 7/20 0.44
IL1RN P18510 6/20 0.44
ERAP1 Q9NZ08 7/20 0.44
LNPEP Q9UIQ6 2/20 0.43
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KLK7 P49862 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
SCHEMBL7994280 0.98 TACR1 (0.46) TACR1ERAP2IL1RNERAP1LNPEP
SCHEMBL8810898 0.96 TACR1 (0.47) TACR1ERAP2IL1RNERAP1LNPEP
SCHEMBL7993751 0.94 TACR1 (0.48) TACR1ERAP2IL1RNERAP1LNPEP
SCHEMBL7986462 0.93 MAPK1 (0.44) MAPK1SMN1; SMN2
SCHEMBL7988163 0.92 SMN1; SMN2 (0.44) TACR1MAPK1SMN1; SMN2
SCHEMBL7990508 0.92 SMN1; SMN2 (0.44) TACR1MAPK1SMN1; SMN2
SCHEMBL7976826 0.91 MAPK1 (0.45) MAPK1SMN1; SMN2
SCHEMBL7989999 0.89 EDNRA (0.40) TACR1ERAP2IL1RN
SCHEMBL8807798 0.89 MAPK1 (0.46) MAPK1SMN1; SMN2
SCHEMBL7990070 0.86 MAPK1 (0.47) MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207686-B1 FOR THERAPY OF HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0792265-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-03 EP disclosed
WO-1996015109-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-23 WO disclosed