SCHEMBL1036595

SCHEMBL1036595

C#CC(N)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.50
▸ F2 P00734 1/20 0.50
▸ HTR2A P28223 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL9973462 1.00 DPP4 (0.50) DPP4F2HTR2ATAAR1ADRA2A
Hydrochloric Acid SCHEMBL4797236 0.97 DPP4 (0.48) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL21263995 0.75 CHRNA7 (0.39) LMNAALDH1A1
SCHEMBL26033140 0.75 HTT (0.40) LMNAHIF1AKDM4EALDH1A1
SCHEMBL28185990 0.75 ADRB2 (0.50) ADRA2ALMNAHIF1AKDM4E
SCHEMBL23244675 0.75 PYCR1 (0.40) DPP4HTR2AALDH1A1
SCHEMBL28185987 0.75 IDO1 (0.43) LMNAALDH1A1
SCHEMBL1036920 0.74 DPP4 (0.50) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL1036918 0.74 DPP4 (0.50) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL10404165 0.74 DPP4 (0.50) DPP4F2HTR2ATAAR1ADRA2A

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627631-B1 PYRROLIDINONES AS METAP2 INHIBITORS MERCK PATENT GMBH (DE) 2015-12-16 — — EP claimed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 — — EP claimed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 — — EP claimed
US-4871748-A RODENTICIDES MAY & BAKER LIMITED (GB) 1989-10-03 — — US claimed
EP-0041324-B1 A NEW PHENYLPROPARGYLAMINE DERIVATIVE MAY & BAKER LIMITED (GB) 1983-06-08 — — EP claimed
US-4347252-A Rodenticidal 1-(3,5-bistrifluoromethylphenyl)-3-(4-t-butylpiperidino)prop-1-yne MAY & BAKER LTD. (GB) 1982-08-31 — — US claimed
EP-0041324-A1 A new phenylpropargylamine derivative MAY & BAKER LIMITED (GB) 1981-12-09 — — EP claimed
WO-2025051148-A1 NITROGEN-CONTAINING HETEROARYL COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 北京鞍石生物科技股份有限公司 2025-03-13 — — WO disclosed
CN-119320383-A Nitrogen-containing heteroaryl compound, and preparation method and application thereof 北京鞍石生物科技股份有限公司 2025-01-17 — — CN disclosed
WO-2024073106-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS INHIBITORS OF TAPS TRACT PHARMACEUTICALS, INC. (US) 2024-04-04 — — WO disclosed
CN-112480112-B Method for synthesizing substituted dihydrophenanthroline compound 浙江工业大学 2021-10-15 — — CN disclosed
CN-112480112-A Method for synthesizing substituted dihydrophenanthroline compound 浙江工业大学 2021-03-12 — — CN disclosed
US-9730976-B2 Homo- and heterodimeric SMAC mimetic compounds as apoptosis inducers BIONTECH AG (DE) 2017-08-15 — — US disclosed
EP-0041324-B1 A NEW PHENYLPROPARGYLAMINE DERIVATIVE MAY & BAKER LIMITED (GB) 1983-06-08 — — EP disclosed
EP-0041324-B1 A NEW PHENYLPROPARGYLAMINE DERIVATIVE MAY & BAKER LIMITED (GB) 1983-06-08 — — EP disclosed
US-4347252-A Rodenticidal 1-(3,5-bistrifluoromethylphenyl)-3-(4-t-butylpiperidino)prop-1-yne MAY & BAKER LTD. (GB) 1982-08-31 — — US disclosed
US-4347252-A Rodenticidal 1-(3,5-bistrifluoromethylphenyl)-3-(4-t-butylpiperidino)prop-1-yne MAY & BAKER LTD. (GB) 1982-08-31 — — US disclosed
EP-0041324-A1 A new phenylpropargylamine derivative MAY & BAKER LIMITED (GB) 1981-12-09 — — EP disclosed
EP-0041324-A1 A new phenylpropargylamine derivative MAY & BAKER LIMITED (GB) 1981-12-09 — — EP disclosed
EP-0041324-A1 A new phenylpropargylamine derivative MAY & BAKER LIMITED (GB) 1981-12-09 — — EP disclosed
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