SCHEMBL9517325

SCHEMBL9517325

COc1ccc2[nH]cc(SCC(N)CCCCN3C(=O)CC(C)(C)CC3=O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HTR1A P08908 13/20 0.41
▸ SLC6A4 P31645 7/20 0.41
▸ HTR2A P28223 6/20 0.41
▸ DRD2 P14416 5/20 0.41
▸ HTR7 P34969 5/20 0.41
▸ HTR6 P50406 5/20 0.41
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL9514753 0.91 HTR1A (0.45) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9517236 0.85 HTR1A (0.43) MAPTHTR1AHTR2ADRD2HTR7
SCHEMBL9513635 0.84 MAPT (0.61) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9513853 0.83 SMN1; SMN2 (0.49) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9515127 0.83 LMNA (0.41) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9514774 0.81 HTR1A (0.42) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9514297 0.80 HTR1A (0.39) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9514280 0.77 HTR1A (0.44) HTR1A
SCHEMBL9228149 0.75 HTR1A (0.50) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9513686 0.74 SIGMAR1 (0.47) HTR1A

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
US-5227488-A AZA SPIRO DECANE AND USE THEREOF IN TREATING CNS DISORDERS NOVO NORDISK A/S (DK) 1993-07-13 — — US disclosed
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