SCHEMBL7769654

SCHEMBL7769654

S=c1ccn(CCN2CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
KDM1A O60341 4/20 0.44
SIGMAR1 Q99720 3/20 0.43
POLB P06746 1/20 0.43
ACHE P22303 1/20 0.42
ALDH1A1 P00352 3/20 0.40
HRH3 Q9Y5N1 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
HTR2A P28223 1/20 0.40
MAPK1 P28482 1/20 0.40
SCN1A P35498 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL7772370 0.91 KDM1A (0.48) ATMKDM1ASIGMAR1POLBALDH1A1
SCHEMBL7767898 0.82 HRH3 (0.41) SIGMAR1ACHEHRH3KMT2ACYP1A2
SCHEMBL7068328 0.77 ALDH1A1 (0.46) ATMKDM1ASIGMAR1POLBALDH1A1
SCHEMBL13456606 0.74 POLB (0.44) KDM1ASIGMAR1POLBACHEALDH1A1
SCHEMBL235080 0.71 KDM4E (0.65) SIGMAR1POLBALDH1A1HRH3KEAP1
SCHEMBL13428655 0.70 ACHE (0.44) SIGMAR1ACHEALDH1A1KMT2AKCNH2
SCHEMBL16417106 0.68 ALDH1A1 (0.47) ATMALDH1A1KMT2AKCNH2MAPT
SCHEMBL11856358 0.68 KDM4E (0.70) SIGMAR1POLBACHEALDH1A1KEAP1
SCHEMBL10913328 0.68 KDM4E (0.70) SIGMAR1POLBALDH1A1KEAP1SMN1; SMN2
SCHEMBL3065336 0.68 KEAP1 (0.52) KDM1ASIGMAR1POLBALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700916-B1 CEPHEM COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ANTIBACTERIAL CONTAINING THE COMPOUND OTSUKA KAGAKU KK (JP) 2001-06-20 EP disclosed
US-5698544-A ANTIBOIOTIC AGAINST METHICILLIN RESISTANCE STAPHYLOCOCCUS AUREUS OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-12-16 US disclosed
EP-0700916-A1 CEPHEM COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ANTIBACTERIAL CONTAINING THE COMPOUND OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1996-03-13 EP disclosed