SCHEMBL29948583

SCHEMBL29948583

CCCCOC(=O)N1CCC12CCNCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.37
ATM Q13315 1/20 0.35
GBA2 Q9HCG7 1/20 0.35
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
HRH2 P25021 2/20 0.33
HRH1 P35367 2/20 0.33
TSHR P16473 2/20 0.33
HPGD P15428 1/20 0.33
BCHE P06276 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
OPRM1 P35372 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL29622490 0.83 SMN1; SMN2 (0.40) LMNASMN1; SMN2POLBALDH1A1ATM
Oxalic Acid SCHEMBL31276257 0.83 LMNA (0.41) LMNASMN1; SMN2POLBALDH1A1ATM
SCHEMBL29937233 0.78 SMN1; SMN2 (0.42) LMNASMN1; SMN2POLBALDH1A1ATM
SCHEMBL21409258 0.77 LMNA (0.54) LMNASMN1; SMN2POLBALDH1A1OPRD1
Oxalic Acid SCHEMBL27086649 0.75 SMN1; SMN2 (0.40) LMNASMN1; SMN2POLBALDH1A1ATM
SCHEMBL29751587 0.75 LMNA (0.48) LMNASMN1; SMN2POLBALDH1A1ATM
SCHEMBL17017 0.74 POLB (0.63) LMNASMN1; SMN2POLBALDH1A1ATM
SCHEMBL18760256 0.74 POLB (0.63) LMNASMN1; SMN2POLBALDH1A1ATM
SCHEMBL5820669 0.74 POLB (0.63) LMNASMN1; SMN2POLBALDH1A1ATM
SCHEMBL20570038 0.74 LMNA (0.48) LMNASMN1; SMN2POLBALDH1A1OPRD1

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-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed