SCHEMBL20196740

SCHEMBL20196740

CC1CCCN1C(=O)CCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.49
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
KMT2A Q03164 1/20 0.39
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HRH3 Q9Y5N1 5/20 0.38
ATM Q13315 1/20 0.38
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL19703600 0.80 MGLL (0.51) MGLLCHRM2CHRM4CHRM1CHRM3
SCHEMBL19703726 0.80 MGLL (0.51) MGLLCHRM2CHRM4CHRM1CHRM3
SCHEMBL17740198 0.78 MGLL (0.49) MGLLCHRM2CHRM4CHRM1CHRM3
SCHEMBL19698198 0.78 MGLL (0.49) MGLLCHRM2CHRM4CHRM1CHRM3
SCHEMBL17739988 0.78 MGLL (0.49) MGLLCHRM2CHRM4CHRM1CHRM3
SCHEMBL17739917 0.78 MGLL (0.59) MGLLKMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL19703587 0.77 MGLL (0.54) MGLLHPGDSMN1; SMN2ALDH1A1TSHR
SCHEMBL19703601 0.76 MGLL (0.49) MGLLKMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL17739588 0.75 MGLL (0.51) MGLLKMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL19698113 0.75 MGLL (0.48) MGLLKMT2AHPGDSMN1; SMN2ALDH1A1

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
EP-3327027-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF Pfizer Inc (US) 2018-05-30 EP disclosed