SCHEMBL9600964

SCHEMBL9600964

[CH2]CC(CCC)NCCC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.33
LMNA P02545 2/20 0.32
CNR1 P21554 1/20 0.32
ADRA1A P35348 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ABCC3 O15438 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL18727407 0.84 LMNA (0.38) SIGMAR1LMNACNR1ADRA1ATDP1
SCHEMBL10648742 0.79 LMNA (0.46) SIGMAR1LMNACNR1ADRA1ATDP1
SCHEMBL16145722 0.78
SCHEMBL2484735 0.75 LMNA (0.54) SIGMAR1LMNACNR1ADRA1ATDP1
SCHEMBL26220887 0.75 DNM1 (0.40) SIGMAR1LMNACNR1ADRA1ATDP1
SCHEMBL24942548 0.75 SIGMAR1 (0.33) SIGMAR1LMNACNR1ADRA1ATDP1
SCHEMBL2489804 0.75 LMNA (0.54) SIGMAR1LMNACNR1ADRA1ATDP1
SCHEMBL2484741 0.75 LMNA (0.54) SIGMAR1LMNACNR1ADRA1ATDP1
SCHEMBL22162261 0.75 SIGMAR1 (0.31) SIGMAR1
SCHEMBL383714 0.74

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-0215435-B1 2-OXA-ISOCEPHEM COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
US-4831026-A ANTIBIOTICS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US disclosed
EP-0215435-A1 2-Oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-03-25 EP disclosed