SCHEMBL7975993

SCHEMBL7975993

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1)C(Cc1ccccc1OCc1ccccc1)C(O)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ERAP1 Q9NZ08 6/20 0.53
▸ IL1RN P18510 5/20 0.53
▸ ERAP2 Q6P179 5/20 0.53
▸ TACR1 P25103 8/20 0.50
▸ LNPEP Q9UIQ6 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ NMBR P28336 1/20 0.48

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
SCHEMBL7993776 0.93 ERAP2 (0.52) ERAP1IL1RNERAP2TACR1LNPEP
SCHEMBL7990279 0.93 LMNA (0.58) ERAP1IL1RNERAP2TACR1LNPEP
SCHEMBL7990652 0.90 ERAP1 (0.52) ERAP1IL1RNERAP2TACR1LNPEP
SCHEMBL7975820 0.88 IL1RN (0.55) ERAP1IL1RNERAP2TACR1LNPEP
SCHEMBL7986576 0.88 IL1RN (0.55) ERAP1IL1RNERAP2TACR1LNPEP
SCHEMBL7993348 0.88 IL1RN (0.55) ERAP1IL1RNERAP2TACR1LNPEP
SCHEMBL7990312 0.87 ITGB2 (0.49) ERAP1IL1RNERAP2
SCHEMBL7993685 0.83 ECE1 (0.55) —
SCHEMBL7986482 0.82 ITGB2 (0.57) —
SCHEMBL7975904 0.80 ITGB2 (0.54) —

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
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