SCHEMBL7651795

SCHEMBL7651795

O=C(O)c1c(COc2ccnc3ccccc23)cccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.48
▸ MCL1 Q07820 1/20 0.47
▸ PTGER1 P34995 2/20 0.41
▸ PTGER4 P35408 2/20 0.41
▸ PTGER3 P43115 2/20 0.41
▸ PTGER2 P43116 2/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ IL1B P01584 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ SYK P43405 1/20 0.39

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
SCHEMBL31072686 0.81 TP53 (0.56) FOLH1MCL1CYP1A2SYK
SCHEMBL7569004 0.75 PDE10A (0.44) —
SCHEMBL9838553 0.74 DHODH (0.46) FOLH1MCL1
SCHEMBL8872410 0.73 FOLH1 (0.70) FOLH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL31072687 0.73 RXRA (0.56) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL5636124 0.72 SGMS2 (0.50) —
SCHEMBL2112736 0.71 KDM4E (0.58) CYP1A2
SCHEMBL9582484 0.71 ALDH1A1 (0.57) FOLH1CYP1A2
SCHEMBL30935917 0.71 ALDH1A1 (0.57) FOLH1CYP1A2
SCHEMBL9044377 0.71 IDO1 (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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380195-B1 INCLUDING (METHYLENEDIOXYPHENYL)CYCLOPENTENO(1,2-B)PYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-04-30 — — US disclosed
EP-0906108-A4 METHOD OF TREATING HEART FAILURE WITH ENDOTHELIN ANTAGONISTS BANYU PHARMA CO LTD (JP) 2000-12-06 — — EP disclosed
US-6087360-A TREATING PATIENTS WITH ENDOTHELIN RELATED DISORDERS BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-07-11 — — US disclosed
EP-0617001-B1 Phenoxyphenylacetic acid derivatives MERCK & CO INC (US) 2000-01-26 — — EP disclosed
EP-0906108-A1 METHOD OF TREATING HEART FAILURE WITH ENDOTHELIN ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-04-07 — — EP disclosed
US-5834483-A Method of treating heart failure with endothelin antagonists MERCK & CO., INC. (US) 1998-11-10 — — US disclosed
US-5767310-A Phenoxyphenylacetic acid derivatives MERCK & CO., INC. (US) 1998-06-16 — — US disclosed
US-5686478-A Endothelin antagonists MERCK & CO. INC. (US) 1997-11-11 — — US disclosed
US-5668176-A ENDOTHELIN ANTAGONIST MERCK & CO. INC. (US) 1997-09-16 — — US disclosed
US-5565485-A TREATING CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1996-10-15 — — US disclosed
US-5420133-A Quinazolinones substituted with phenoxyphenylacetic acid derivatives MERCK & CO., INC. (US) 1995-05-30 — — US disclosed
US-5401745-A Cardiovascular disorders or hypotensive agents MERCK & CO., INC. (US) 1995-03-28 — — US disclosed
US-5391566-A An endothelin antagonist, hypotensive agents, antiinflammatory agents for treating cardiovascular disorders, kidney disorders , brain disorders, asthma MERCK & CO., INC. (US) 1995-02-21 — — US disclosed
US-5374638-A Cardiovascular disorders, hypotensive agents MERCK & CO., INC. (US) 1994-12-20 — — US disclosed
US-5352800-A Fermentation of fungi MERCK & CO., INC. (US) 1994-10-04 — — US disclosed
WO-1994021255-A1 SIX-MEMBERED RING FUSED IMIDAZOLES SUBSTITUTED WITH PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1994-09-29 — — WO disclosed
WO-1994021590-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1994-09-29 — — WO disclosed
WO-1994021259-A1 QUINAZOLINONES SUBSTITUTED WITH PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1994-09-29 — — WO disclosed
EP-0617001-A1 Phenoxyphenylacetic acid derivatives MERCK & CO. INC. (US) 1994-09-28 — — EP disclosed
US-5334598-A Have endothelin antagonist activity; useful in treating cardiovascular disorders, hypertension, inflammatory diseases and asthma MERCK & CO., INC. (US) 1994-08-02 — — US disclosed
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