SCHEMBL8316908

SCHEMBL8316908

CC#CCc1cccc(OC(=O)Oc2cccc(CC#CC)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTBP2 P56545 1/20 0.39
MMP13 P45452 1/20 0.39
MEN1 O00255 1/20 0.39
FFAR1 O14842 1/20 0.39
IDH1 O75874 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
SCHEMBL11503299 0.81 TAAR1 (0.55) ALDH1A1
SCHEMBL8422477 0.78 MAPK1 (0.51) ACHEKMT2AALDH1A1SMN1; SMN2
SCHEMBL11209706 0.77 TSHR (0.48) CYP1A2KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL28374505 0.75 TSHR (0.53) ACHEMTNR1AMTNR1BKMT2ASMN1; SMN2
SCHEMBL576723 0.73 FOLH1 (0.56) HTTSMN1; SMN2
SCHEMBL4672371 0.73 LOXL2 (0.62) KMT2AALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL7989550 0.72 CYP3A4 (0.54) ACHEKMT2AMEN1
SCHEMBL2809012 0.72 ENPP2 (0.50) CYP1A2KMT2AALDH1A1IDH1
SCHEMBL21980935 0.71 TSHR (0.53) ACHEKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL28055585 0.71 ACHE (0.47) ACHEMTNR1AMTNR1BKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0367110-B1 1,4-diazepine derivative and its pharmaceutical use EISAI CO LTD (JP) 1999-08-11 EP disclosed
US-5482937-A ANTIALLERGENS AND PLATELET ACTIVATING FACTOR FOR TREATMENT OF INFLAMMATION EISAI CO., LTD. (JP) 1996-01-09 US disclosed
US-5468740-A Anti-platelet activating factor activity; antiallergens, antiasthmatics EISAI CO., LTD. (JP) 1995-11-21 US disclosed
EP-0677524-A1 Thieno[3,2-F][1,2,4]triazolo[4,3-A][1,4]diazepine derivatives as PAF antagonists Eisai Co., Ltd. (JP) 1995-10-18 EP disclosed
US-5438045-A An 3-acetyl-6-phenyl-2,3,4,5-tetrahydro-8h-pyrido(4'3':4,5)-thieno(3,2 -f)(1,2,4)triazolo(4,3-a)(1,4)diazepine derivative; antiallergens; asthma; antiplatelet activating factor activity EISAI CO., LTD. (JP) 1995-08-01 US disclosed
US-5409909-A Antiallergens EISAI CO., LTD. (JP) 1995-04-25 US disclosed
US-5382579-A Platelet activating factor antagonists; antiallergens; asthma EISAI CO., LTD. (JP) 1995-01-17 US disclosed
EP-0606103-A1 Thieno 3.2-f 1,2,4 triazolo 4,3-a 1,4 -diazepine derivatives as PAF antagonists Eisai Co., Ltd. (JP) 1994-07-13 EP disclosed
US-5304553-A Antiallergens; platelet activating factor inhibitor EISAI CO., LTD. (JP) 1994-04-19 US disclosed
US-5221671-A Antiallergens, bronchodilator agents EISAI CO., LTD. (JP) 1993-06-22 US disclosed
EP-0367110-A1 1,4-diazepine derivative and its pharmaceutical use Eisai Co., Ltd. (JP) 1990-05-09 EP disclosed