SCHEMBL28282014

SCHEMBL28282014

CCC(CC)NCCOC(C)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
CNR1 P21554 1/20 0.43
ADRA1A P35348 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ABCC3 O15438 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A4 P31645 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL9872516 0.79 HTR1B (0.34) TDP1KDM4E
SCHEMBL11137377 0.79
SCHEMBL3153385 0.74 MEN1 (0.32) ADRA1A
SCHEMBL7286654 0.73
SCHEMBL22609583 0.72
SCHEMBL5611395 0.72
SCHEMBL273021 0.72 SLC6A4 (0.51) LMNACNR1ADRA1ATDP1KDM4E
Bromide SCHEMBL17513697 0.70 SLC6A4 (0.50) LMNACNR1ADRA1ATDP1KDM4E
Iodide SCHEMBL27609232 0.70 SLC6A4 (0.50) LMNACNR1ADRA1ATDP1KDM4E
Hydrochloric Acid SCHEMBL4146327 0.70 SLC6A4 (0.50) LMNACNR1ADRA1ATDP1KDM4E

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
CN-109499335-A A kind of bulky amine composite desulfurizing agent 江苏科创石化有限公司 2019-03-22 CN claimed
CN-109499335-A A kind of bulky amine composite desulfurizing agent 江苏科创石化有限公司 2019-03-22 CN disclosed
CN-109499335-A A kind of bulky amine composite desulfurizing agent 江苏科创石化有限公司 2019-03-22 CN disclosed