SCHEMBL22115337

SCHEMBL22115337

CNC(=O)CCCCCOC(=O)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 5/20 0.43
GNAO1 P09471 5/20 0.43
GNAI1 P63096 5/20 0.43
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAMPT P43490 1/20 0.36
EPHX1 P07099 1/20 0.35
P2RY12 Q9H244 3/20 0.33
PLA2G2A P14555 2/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
ENPP2 Q13822 1/20 0.33
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL22115448 0.95 GNAI3 (0.40) GNAI3GNAO1GNAI1LMNAPOLB
SCHEMBL22114846 0.84 LMNA (0.42) GNAI3GNAO1GNAI1LMNAPOLB
SCHEMBL25424462 0.80 LMNA (0.55) GNAI3GNAO1GNAI1LMNAPOLB
SCHEMBL9123475 0.80 LMNA (0.55) GNAI3GNAO1GNAI1LMNAPOLB
SCHEMBL27694189 0.80 LMNA (0.55) GNAI3GNAO1GNAI1LMNAPOLB
SCHEMBL24234391 0.79 LMNA (0.38) GNAI3GNAO1GNAI1LMNAPOLB
SCHEMBL27679302 0.79 FAAH (0.46) POLBSMN1; SMN2CHRM5CHRM3CA12
SCHEMBL5667296 0.79 LMNA (0.57) GNAI3GNAO1GNAI1LMNAPOLB
Hydrochloric Acid SCHEMBL594772 0.77 FAAH (0.45) GNAI3GNAO1GNAI1POLBSMN1; SMN2
SCHEMBL18760256 0.77 POLB (0.63) GNAI3GNAO1GNAI1LMNAPOLB

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-2020123836-A2 HERBOXIDIENE SPLICING MODULATOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-06-18 WO disclosed