SCHEMBL20718567

SCHEMBL20718567

C=C(CC)OCCN(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 4/20 0.40
CYP2D6 P10635 3/20 0.40
TSHR P16473 3/20 0.40
CYP1A2 P05177 2/20 0.40
MAOA P21397 1/20 0.40
HTR3A P46098 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CYP3A4 P08684 2/20 0.39
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
EBP Q15125 1/20 0.38
CHRM2 P08172 4/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38

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
SCHEMBL19035794 0.83 MEN1 (0.39) MEN1POLBKMT2ALMNACYP2D6
SCHEMBL10605026 0.81 MEN1 (0.45) MEN1POLBKMT2ALMNACYP2D6
SCHEMBL8071568 0.79 MEN1 (0.43) MEN1POLBKMT2ALMNACYP2D6
SCHEMBL14983798 0.76 MEN1 (0.41) MEN1POLBKMT2ALMNACYP2D6
SCHEMBL9546035 0.75 SIGMAR1 (0.43) MEN1POLBKMT2ALMNACYP2D6
SCHEMBL13877082 0.74 MEN1 (0.48) MEN1POLBKMT2ALMNACYP2D6
SCHEMBL11856688 0.73 NAAA (0.48) MEN1POLBKMT2ALMNACYP2D6
SCHEMBL8895404 0.73 LMNA (0.47) MEN1POLBKMT2ALMNACYP2D6
SCHEMBL29193655 0.73 ALDH1A1 (0.40) MEN1POLBKMT2ALMNACYP2D6
SCHEMBL8939915 0.73 CYP2D6 (0.51) MEN1POLBKMT2ALMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019028339-A1 ANESTHETIC AGENT MICRO AND NANO PARTICLES, AND METHODS OF MAKING AND USING THE SAME HAAS ERIC (US) 2019-02-07 WO disclosed