SCHEMBL8480408

SCHEMBL8480408

CCCCN(CCC)C(=O)C1c2ccccc2-c2cccc(N3CCCC(N4C(=O)c5ccccc5C4=O)C3)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ HTR2B P41595 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ BCHE P06276 1/20 0.33
▸ OPRK1 P41145 1/20 0.32
▸ P2RX1 P51575 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ P2RX4 Q99571 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HSD17B10 Q99714 2/20 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
SCHEMBL8675063 0.90 L3MBTL1 (0.42) HTR2AL3MBTL1SMN1; SMN2NPSR1MEN1
SCHEMBL8480927 0.85 NPSR1 (0.41) HTR2AL3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL8668070 0.82 MEN1 (0.35) HTR2ASMN1; SMN2NPSR1MEN1TSHR
SCHEMBL8714742 0.81 NPSR1 (0.39) HTR2AALDH1A1NPSR1GAAHPGD
SCHEMBL8503791 0.80 TSHR (0.37) HTR2ASMN1; SMN2NPSR1MEN1TSHR
SCHEMBL8485120 0.78 TSHR (0.36) HTR2ASMN1; SMN2NPSR1MEN1TSHR
SCHEMBL8669685 0.77 NPSR1 (0.42) NPSR1
SCHEMBL8480413 0.77 TMEM97 (0.35) TMEM97HTR2ASIGMAR1HTR2BL3MBTL1
SCHEMBL8667850 0.76 L3MBTL1 (0.42) HTR2AHTR2BL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8593677 0.75 ALDH1A1 (0.36) HTR2AL3MBTL1ALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5883099-A TREATMENT OF ATHERSCLEROSIS, PANCREATITIS OBESITY OR HYPERGLYCEMIA BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-16 — — US disclosed
US-5739135-A PREVENTING OR TREATING ATHEROSCLEROSIS, PANCREATITIS SECONDARY TO HYPERTRIGLYCERIDEMIA, HYPERGLYCEMIA, OBESITY BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-14 — — US disclosed
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