SCHEMBL8797435

SCHEMBL8797435

c1ccc(CNCN2CCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.68
SLC6A3 Q01959 1/20 0.52
SIGMAR1 Q99720 4/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CXCR4 P61073 2/20 0.49
LTA4H P09960 1/20 0.45
MAOA P21397 1/20 0.45
ACHE P22303 1/20 0.44
CHRM2 P08172 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL111527 0.98 DPP7 (0.66) DPP7SLC6A3SIGMAR1KMT2AMEN1
Hydrochloric Acid SCHEMBL8843424 0.96 DPP7 (0.64) DPP7SLC6A3SIGMAR1KMT2AMEN1
SCHEMBL5133081 0.83 HTT (0.56) DPP7SIGMAR1KMT2AMEN1TDP1
SCHEMBL5756091 0.81 DPP7 (1.00) DPP7SLC6A3SIGMAR1KMT2AMEN1
SCHEMBL6203931 0.81 SIGMAR1 (0.72) DPP7SLC6A3SIGMAR1LTA4HACHE
SCHEMBL18720377 0.80 DPP7 (0.50) DPP7SIGMAR1KMT2AMEN1TDP1
Hydrochloric Acid SCHEMBL5754930 0.79 DPP7 (0.96) DPP7SLC6A3SIGMAR1KMT2AMEN1
SCHEMBL8883456 0.79 DPP7 (0.96) DPP7SLC6A3SIGMAR1KMT2AMEN1
SCHEMBL14938163 0.79 SIGMAR1 (0.70) DPP7SLC6A3SIGMAR1LTA4HACHE
Hydrochloric Acid SCHEMBL5759171 0.78 DPP7 (0.93) DPP7SLC6A3SIGMAR1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112110879-B Preparation method of sulcardine free alkali 扬州中宝药业股份有限公司 2022-07-26 CN disclosed
CN-112110879-A Preparation method of sulcardine free alkali 扬州中宝药业股份有限公司 2020-12-22 CN disclosed
EP-0796258-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS MERCK SHARP & DOHME LTD. (GB) 1997-09-24 EP disclosed
WO-1996017842-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1996-06-13 WO disclosed
US-4400511-A 2-Substituted octahydropyrrolo(1,2-A)-pyrazine-3-carboxylic acids AMERICAN HOME PRODUCTS CORPORATION (US) 1983-08-23 US disclosed