SCHEMBL9522812

SCHEMBL9522812

COc1ccc2[nH]cc(SCC(N)CCCCNC(=O)c3ccccc3S(=O)(=O)O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ PTGS1 P23219 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 4/20 0.44
▸ TRPV1 Q8NER1 2/20 0.41
▸ HTR4 Q13639 1/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ POLB P06746 3/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40

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
SCHEMBL9513750 0.88 HDAC3 (0.46) HDAC3HDAC1PTGS1PTGS2HSD17B10
SCHEMBL9515169 0.87 MAPT (0.51) HDAC3HDAC1LMNAHSD17B10KDM4E
SCHEMBL9658888 0.85 HDAC3 (0.48) HDAC3HDAC1PTGS1PTGS2LMNA
SCHEMBL9513635 0.73 MAPT (0.61) LMNAHSD17B10MAPTKMT2AHTR1A
SCHEMBL9517325 0.68 LMNA (0.41) LMNAMAPTKMT2AHTR1AHTR2A
SCHEMBL9513853 0.67 SMN1; SMN2 (0.49) LMNAMAPTKMT2AHTR1AHTR2A
SCHEMBL9514774 0.67 HTR1A (0.42) LMNAMAPTKMT2AHTR1AHTR2A
SCHEMBL9514297 0.66 HTR1A (0.39) LMNAMAPTHTR4KMT2AHTR1A
SCHEMBL9514753 0.66 HTR1A (0.45) LMNAMAPTKMT2AHTR1AHTR2A
SCHEMBL28408669 0.66 PTGS1 (0.74) PTGS1PTGS2HSD17B10KDM4ETRPV1

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 3 patents. 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
EP-0495826-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-07-29 — — EP disclosed
WO-1991004973-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-04-18 — — WO disclosed
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