SCHEMBL23716190

SCHEMBL23716190

NC(O)C(NNOc1ccc(Cl)c(Cl)c1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.41
METAP2 P50579 4/20 0.36
METAP1 P53582 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AKT1 P31749 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
SCHEMBL23715831 0.69 S1PR3 (0.47) SLC6A3
SCHEMBL23716290 0.68 SLC6A4 (0.38) SLC6A3LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL23715797 0.68 S1PR3 (0.35) NPSR1
SCHEMBL23716419 0.68 SLC6A3 (0.35) SLC6A3
SCHEMBL23715786 0.63 ALDH1A1 (0.41) LMNAHTTSMN1; SMN2
SCHEMBL23716330 0.62 MDM2 (0.38) LMNAMEN1HTTKMT2A
SCHEMBL7809289 0.61 SLC6A3 (0.41) SLC6A3LMNA
SCHEMBL19134192 0.60 KMT2A (0.68) LMNAMEN1MAPTHTTKMT2A
SCHEMBL17975810 0.58 HPGD (0.57) SLC6A3MEN1MAPTHTTKMT2A
SCHEMBL9152734 0.58 ALDH1A1 (0.46) LMNA

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-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed