SCHEMBL7997254

SCHEMBL7997254

COc1ccc(-c2[nH]c3ccccc3c2CCN)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.53
TLR8 Q9NR97 3/20 0.51
TLR7 Q9NYK1 3/20 0.51
TLR9 Q9NR96 1/20 0.51
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49
TUBB6 Q9BUF5 1/20 0.49
TUBB2B Q9BVA1 1/20 0.49
TUBB1 Q9H4B7 1/20 0.49
MAPT P10636 2/20 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
SCHEMBL29555356 0.85 TLR8 (0.67) TLR8TLR7TLR9
SCHEMBL8694550 0.84 TLR8 (0.53) TLR8TLR7TLR9TUBB4ATUBB
SCHEMBL7613059 0.82 KDM4E (0.64) HTR6MAPTLMNAKDM4EKMT2A
SCHEMBL7999323 0.82 TLR8 (0.52) TLR8TLR7
SCHEMBL22221978 0.80 HTR6 (0.61) HTR6MAPTKDM4EKMT2A
SCHEMBL29556420 0.77 TLR7 (0.58) TLR8TLR7TLR9MAPTLMNA
SCHEMBL4875370 0.77 HTR6 (0.70) HTR6MAPTKDM4EKMT2A
Hydrochloric Acid SCHEMBL29555373 0.76 TLR7 (0.57) TLR8TLR7TLR9MAPTLMNA
SCHEMBL7995810 0.76 GNRHR (0.54)
Hydrochloric Acid SCHEMBL5130227 0.75 HTR6 (0.68) HTR6MAPTKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756507-A TREATING SEX HORMONE RELATED DISORDERS MERCK & CO., INC. (US) 1998-05-26 US claimed
EP-0868178-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2000-03-29 EP disclosed
US-5849764-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 1998-12-15 US disclosed
EP-0871624-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1998-10-21 EP disclosed
EP-0868178-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1998-10-07 EP disclosed
US-5756507-A TREATING SEX HORMONE RELATED DISORDERS MERCK & CO., INC. (US) 1998-05-26 US disclosed
WO-1997021703-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-06-19 WO disclosed
WO-1997021435-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-06-19 WO disclosed