SCHEMBL7986576

SCHEMBL7986576

O=C(OCc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](c1ccccc1OCc1ccccc1)[C@@H](O)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IL1RN P18510 5/20 0.55
▸ ERAP2 Q6P179 5/20 0.55
▸ ERAP1 Q9NZ08 5/20 0.55
▸ TACR1 P25103 9/20 0.50
▸ LNPEP Q9UIQ6 1/20 0.50
▸ NMBR P28336 2/20 0.49

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
SCHEMBL7975820 1.00 IL1RN (0.55) IL1RNERAP2ERAP1TACR1LNPEP
SCHEMBL7993348 1.00 IL1RN (0.55) IL1RNERAP2ERAP1TACR1LNPEP
SCHEMBL7975993 0.88 ERAP1 (0.53) IL1RNERAP2ERAP1TACR1LNPEP
SCHEMBL7993776 0.85 ERAP2 (0.52) IL1RNERAP2ERAP1TACR1LNPEP
SCHEMBL7989620 0.85 NMBR (0.55) IL1RNERAP2ERAP1NMBR
SCHEMBL7989931 0.84 EDNRA (0.42) IL1RNERAP2ERAP1
SCHEMBL7976141 0.84 ITGB2 (0.58) IL1RNERAP2ERAP1NMBR
SCHEMBL7990279 0.82 LMNA (0.58) IL1RNERAP2ERAP1TACR1LNPEP
SCHEMBL7976137 0.82 ITGB2 (0.59) NMBR
SCHEMBL7990294 0.82 ITGB2 (0.59) NMBR

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 4 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-2001009124-A1 8-CARBONYL CHROMAN DERIVATIVES, PREPARATION AND THERAPIC USE THEREOF AVENTIS PHARMA S.A. (FR) 2001-02-08 — — WO 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
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