SCHEMBL7993776

SCHEMBL7993776

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1)C(CCc1ccccc1OCc1ccccc1)C(O)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 8/20 0.52
▸ ERAP1 Q9NZ08 7/20 0.52
▸ IL1RN P18510 5/20 0.52
▸ LNPEP Q9UIQ6 5/20 0.48
▸ TACR1 P25103 5/20 0.48
▸ NMBR P28336 2/20 0.48
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL7990312 0.94 ITGB2 (0.49) ERAP2ERAP1IL1RN
SCHEMBL7975993 0.93 ERAP1 (0.53) ERAP2ERAP1IL1RNLNPEPTACR1
SCHEMBL7990279 0.86 LMNA (0.58) ERAP2ERAP1IL1RNLNPEPTACR1
SCHEMBL7986576 0.85 IL1RN (0.55) ERAP2ERAP1IL1RNLNPEPTACR1
SCHEMBL7975820 0.85 IL1RN (0.55) ERAP2ERAP1IL1RNLNPEPTACR1
SCHEMBL7993348 0.85 IL1RN (0.55) ERAP2ERAP1IL1RNLNPEPTACR1
SCHEMBL7990652 0.85 ERAP1 (0.52) ERAP2ERAP1IL1RNLNPEPTACR1
SCHEMBL7988297 0.82 ITGB2 (0.54) —
SCHEMBL7975980 0.77 SGMS2 (0.48) —
SCHEMBL8817317 0.77 SGMS2 (0.48) —

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