SCHEMBL8503791

SCHEMBL8503791

CCCCN(CCC)C(=O)C1c2ccccc2-c2cccc(N3CC(N4Cc5ccccc5C4)C3)c21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ P2RX1 P51575 2/20 0.35
▸ P2RX4 Q99571 2/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ BCHE P06276 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ BCL2 P10415 8/20 0.33
▸ BAD Q92934 3/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ HTR2A P28223 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
SCHEMBL8668070 0.93 MEN1 (0.35) TSHRMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL8485120 0.91 TSHR (0.36) TSHRMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL8480927 0.82 NPSR1 (0.41) TSHRMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL8502237 0.80 NPSR1 (0.38) TSHRMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL8480408 0.80 TMEM97 (0.38) TSHRMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL8675063 0.79 L3MBTL1 (0.42) TSHRMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL8502228 0.79 SCN1A (0.33) SMN1; SMN2NPSR1HTR2A
SCHEMBL8503698 0.78 SCN1A (0.33) NPSR1
SCHEMBL8503795 0.77 OPRK1 (0.31) TSHRMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL8503790 0.77 SCN1A (0.32) NPSR1

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-5885983-A ANTICHOLESTEROL AGENTS, ANTILIPOLYTIC AGENTS, ANTILIPEMIC AGENTS FOR TREATING HYPERLIPEMIA, ATHEROSCLEROSIS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-23 — — US disclosed
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