SCHEMBL13783262

SCHEMBL13783262

Cc1ccc(COCCN2CCOCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
LTA4H P09960 1/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.48
SIGMAR1 Q99720 2/20 0.48
CYP1A2 P05177 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
HTR2A P28223 1/20 0.48
MAPK1 P28482 1/20 0.48
SCN1A P35498 1/20 0.48
HTR2B P41595 1/20 0.48
KCNH2 Q12809 1/20 0.48
SCN2A Q99250 1/20 0.48
SCN3A Q9NY46 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL5321100 0.86 ATM (0.58) POLBLTA4HALDH1A1HTTKMT2A
SCHEMBL21887008 0.84 LTA4H (0.50) POLBLTA4HALDH1A1HTTKMT2A
SCHEMBL21886975 0.84 LTA4H (0.65) POLBLTA4HALDH1A1HTTKMT2A
SCHEMBL24942125 0.83 POLB (0.41) POLBLTA4HALDH1A1SMN1; SMN2KMT2A
SCHEMBL18808227 0.82 L3MBTL1 (0.55) POLBALDH1A1SMN1; SMN2HTTTSHR
SCHEMBL3118449 0.81 TSHR (0.48) POLBLTA4HALDH1A1SMN1; SMN2HTT
SCHEMBL24942157 0.81 HRH3 (0.61) LTA4HALDH1A1HTTKMT2ATSHR
SCHEMBL3112338 0.81 LTA4H (0.47) POLBLTA4HALDH1A1HTTKMT2A
SCHEMBL12765222 0.79 SIGMAR1 (0.70) POLBSMN1; SMN2HTTKMT2ASIGMAR1
SCHEMBL21887014 0.79 KCNJ1 (0.62) POLBLTA4HALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367668-B2 Pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-02-05 US disclosed
US-8367668-B2 Pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-02-05 US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed