SCHEMBL6994417

SCHEMBL6994417

Cc1nnc2n1-c1sc(C3CCNCC3)cc1C(c1ccccc1Cl)=NC2

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 18/20 0.67
OPRK1 P41145 2/20 0.64
PDE4D Q08499 2/20 0.64
GABRA1 P14867 1/20 0.55
GABRG2 P18507 1/20 0.55
HTR2A P28223 1/20 0.55
GABRB3 P28472 1/20 0.55
GABRA5 P31644 1/20 0.55
GABRA3 P34903 1/20 0.55
ADRA1A P35348 1/20 0.55
GABRA2 P47869 1/20 0.55

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
SCHEMBL8928388 0.93 PTAFR (0.73) PTAFROPRK1PDE4DGABRA1GABRG2
SCHEMBL11509934 0.82 PTAFR (0.79) PTAFROPRK1PDE4DGABRA1GABRG2
SCHEMBL8928433 0.82 PTAFR (0.79) PTAFROPRK1PDE4DGABRA1GABRG2
SCHEMBL9379295 0.80 PTAFR (1.00) PTAFROPRK1PDE4DGABRA1GABRG2
Brotizolam SCHEMBL44067 0.80 PTAFR (1.00) PTAFROPRK1PDE4DGABRA1GABRG2
Brotizolam SCHEMBL29396298 0.80 PTAFR (1.00) PTAFROPRK1PDE4DGABRA1GABRG2
Etizolam SCHEMBL42920 0.79 OPRK1 (1.00) PTAFROPRK1PDE4D
SCHEMBL8928754 0.79 PTAFR (0.73) PTAFROPRK1PDE4DGABRA1GABRG2
Etizolam SCHEMBL30665015 0.79 OPRK1 (1.00) PTAFROPRK1PDE4D
SCHEMBL9379443 0.79 PTAFR (1.00) PTAFROPRK1PDE4D

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
EP-0606103-B1 Thieno 3.2-f 1,2,4 triazolo 4,3-a 1,4 -diazepine derivatives as PAF antagonists EISAI CO LTD (JP) 2003-03-12 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
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-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