SCHEMBL8675063

SCHEMBL8675063

CCCCN(CCC)C(=O)C1c2ccccc2-c2cccc(N3CCC(N4C(=O)c5ccccc5C4=O)CC3)c21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ DRD2 P14416 3/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ OPRM1 P35372 2/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ OPRL1 P41146 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ P2RX1 P51575 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ P2RX4 Q99571 1/20 0.34

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
SCHEMBL8480408 0.90 TMEM97 (0.38) L3MBTL1MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL8485120 0.86 TSHR (0.36) DRD2MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL8480927 0.86 NPSR1 (0.41) L3MBTL1DRD2MEN1TSHRKMT2A
SCHEMBL8668070 0.83 MEN1 (0.35) DRD2MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL8485591 0.83 NPY1R (0.41) MEN1TSHRKMT2ASMN1; SMN2NPSR1
SCHEMBL8503791 0.79 TSHR (0.37) DRD2MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL8479245 0.79 SCN1A (0.39) MEN1KMT2A
SCHEMBL8669685 0.78 NPSR1 (0.42) DRD2NPSR1
SCHEMBL8487923 0.77 SCN1A (0.38) MEN1KMT2A
SCHEMBL8485150 0.77 L3MBTL1 (0.41) L3MBTL1DRD2SLC6A4MEN1TSHR

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-H1729-H Method for preparing compounds employing solid phase synthesis and novel linker-resin BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-05 — — 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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