SCHEMBL7592148

SCHEMBL7592148

C#CC(C)(C)c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ELANE P08246 1/20 0.47
MAPT P10636 2/20 0.42
ACHE P22303 1/20 0.41
TDP1 Q9NUW8 5/20 0.41
MAPK1 P28482 4/20 0.41
ALDH1A1 P00352 4/20 0.41
RECQL P46063 2/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
APEX1 P27695 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AOC3 Q16853 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL10261727 0.83 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL15765676 0.79 ELANE (0.49) CA1CA2CA7CA9CA12
SCHEMBL3742483 0.78 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL989065 0.78 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL10518326 0.78 TRPV1 (0.43) MAPTTDP1ALDH1A1ALOX15HSD17B10
SCHEMBL7587185 0.77 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL25954061 0.77 ELANE (0.46) CA1CA2CA7CA9CA12
SCHEMBL164160 0.77 ELANE (0.46) CA1CA2CA7CA9CA12
SCHEMBL8978526 0.76 ELANE (0.46) CA1CA2CA7CA9CA12
SCHEMBL25954113 0.75 ELANE (0.45) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 EP disclosed
EP-0780375-B1 3-((5-substituted benzyl)amino)-2-phenylpiperidines as substance p antagonists PFIZER (US) 2002-09-11 EP disclosed
US-6329396-B1 TREATMENT OF GASTROINTESTINAL DISORDERS CENTRAL NERVOUS SYSTEM (CNS) DISORDERS; INFLAMMATORY DISEASE; EMESIS; URINARY INCONTINENCE; PAIN; MIGRAINE; SUNBURN; DISEASES, DISORDERS AND ADVERSE CONDITIONS CAUSED BY HELIOBACTER PYLORI; OR PFIZER INC. 2001-12-11 US disclosed
EP-0861235-B1 SUBSTITUTED BENZYLAMINOPIPERIDINE COMPOUNDS PFIZER (US) 2001-11-07 EP disclosed
EP-1114817-A1 Substituted benzylamino piperidine compounds PFIZER INC. (US) 2001-07-11 EP disclosed
EP-0861235-A1 SUBSTITUTED BENZYLAMINOPIPERIDINE COMPOUNDS PFIZER INC. (US) 1998-09-02 EP disclosed
US-5789423-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; GASTROINTESTINAL AND CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. (US) 1998-08-04 US disclosed
EP-0780375-A1 3-((5-substituted benzyl)amino)-2-phenylpiperidines as substance p antagonists PFIZER INC. (US) 1997-06-25 EP disclosed
WO-1997008144-A1 SUBSTITUTED BENZYLAMINOPIPERIDINE COMPOUNDS PFIZER PHARMACEUTICALS INC. (JP) 1997-03-06 WO disclosed