SCHEMBL9602707

SCHEMBL9602707

CCN(CC)CCNC(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
LMNA P02545 3/20 0.51
SLC22A1 O15245 2/20 0.51
ACHE P22303 2/20 0.51
SLC22A2 O15244 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
BLM P54132 2/20 0.50
PMP22 Q01453 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.47
KCNH2 Q12809 2/20 0.44
NFKB1 P19838 1/20 0.44
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP3A4 P08684 2/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL14435550 0.88 ALDH1A1 (0.42) ALDH1A1LMNASLC22A1ACHESLC22A2
SCHEMBL9729528 0.87 ALDH1A1 (0.56) ALDH1A1LMNASLC22A1ACHESLC22A2
SCHEMBL3634362 0.83 ALDH1A1 (0.49) ALDH1A1LMNASLC22A1ACHESLC22A2
SCHEMBL13655355 0.81 ALDH1A1 (0.53) ALDH1A1LMNASLC22A1ACHESLC22A2
SCHEMBL4940443 0.81 KMT2A (0.59) ALDH1A1LMNASLC22A1ACHESLC22A2
SCHEMBL474091 0.79 ALDH1A1 (0.53) ALDH1A1LMNASLC22A1ACHESLC22A2
SCHEMBL14694183 0.79 ALDH1A1 (0.49) ALDH1A1LMNASLC22A1ACHESLC22A2
SCHEMBL2835194 0.79 ALDH1A1 (0.49) ALDH1A1LMNASLC22A1ACHESLC22A2
SCHEMBL3634366 0.78 CYP1A2 (0.51) ALDH1A1LMNASLC22A1ACHESLC22A2
SCHEMBL10859240 0.78 ALDH1A1 (0.41) ALDH1A1LMNASLC22A1ACHESLC22A2

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
CN-110950807-B Biaryl compound, preparation method thereof, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2023-03-03 CN disclosed
WO-2007096393-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS 4SC AG (DE) 2007-08-30 WO disclosed
EP-0311322-B1 PYRIDINE OR PYRIDAZINE DERIVATIVES AS CARDIO-PROTECTIVE AGENTS AND FOR THE TREATMENT OF ISCHEMIC DISEASE, AND PROCESS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-21 EP disclosed
US-4990507-A Cardiotonic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-05 US disclosed
EP-0228845-B1 N-CONTAINING HETEROCYCLIC COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-12-12 EP disclosed
US-4931453-A CARDIOVASCULAR, HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-06-05 US disclosed
CN-1041589-A The preparation method who contains cardioprotective agent and the ischemic disease therapeutical agent and the compound of N-heterogeneous ring compound FUJISAWA PHARMACEUTICAL CO (JP) 1990-04-25 CN disclosed
US-4857527-A HYPOTENSIVE, ANTISCHEMIC AGENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 US disclosed
US-4831030-A FOR CEREBROVASCULAR DISEASES; HYPERTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US disclosed
EP-0311322-A2 Pyridine or pyridazine derivatives as cardio-protective agents and for the treatment of ischemic disease, and process for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-12 EP disclosed
EP-0228845-A2 N-containing heterocyclic compounds, processes for the preparation thereof and composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-07-15 EP disclosed