SCHEMBL20553097

SCHEMBL20553097

CCC([O])N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.60
▸ KDM4E B2RXH2 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ MC4R P32245 1/20 0.56
▸ ATM Q13315 1/20 0.55
▸ LMNA P02545 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ DRD4 P21917 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ PKM P14618 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ SCN5A Q14524 1/20 0.48
▸ SCN9A Q15858 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ TSHR P16473 1/20 0.48

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
SCHEMBL13638129 0.81 KMT2A (0.71) SIGMAR1KDM4EMEN1KMT2AMC4R
SCHEMBL14407770 0.79 SIGMAR1 (0.69) SIGMAR1KDM4EMEN1KMT2AMC4R
SCHEMBL6742979 0.79 SIGMAR1 (0.69) SIGMAR1KDM4EMEN1KMT2AMC4R
SCHEMBL278653 0.79 SIGMAR1 (0.69) SIGMAR1KDM4EMEN1KMT2AMC4R
SCHEMBL1041303 0.78 SIGMAR1 (1.00) SIGMAR1KMT2AMC4RLMNAPOLB
SCHEMBL242970 0.78 SIGMAR1 (1.00) SIGMAR1KMT2AMC4RLMNAPOLB
SCHEMBL1415730 0.78 SIGMAR1 (1.00) SIGMAR1KMT2AMC4RLMNAPOLB
SCHEMBL576868 0.78 SIGMAR1 (1.00) SIGMAR1KMT2AMC4RLMNAPOLB
SCHEMBL2489199 0.78 SIGMAR1 (1.00) SIGMAR1KMT2AMC4RLMNAPOLB
SCHEMBL8188324 0.78 SIGMAR1 (1.00) SIGMAR1KMT2AMC4RLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3618819-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-11 — — EP claimed
WO-2018204713-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF EXCIVA UG (HAFTUNGSBESCHRÄNKT) (DE) 2018-11-08 — — WO claimed
EP-3618819-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-11 — — EP disclosed
WO-2018204713-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF EXCIVA UG (HAFTUNGSBESCHRÄNKT) (DE) 2018-11-08 — — WO disclosed
Send feedback