SCHEMBL29771925

SCHEMBL29771925

CCOC(=O)c1cc(-c2ccccc2CC)n(C2CCCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.50
FAAH O00519 8/20 0.45
MGLL Q99685 2/20 0.43
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL18939233 1.00 APLNR (0.50) APLNRFAAHMGLLGABRPGABRD
SCHEMBL18969643 0.87 APLNR (0.51) APLNRFAAHFABP3FABP4
SCHEMBL18939307 0.86 APLNR (0.53) APLNRFABP3FABP4
SCHEMBL29771934 0.86 APLNR (0.53) APLNRFABP3FABP4
SCHEMBL18969641 0.85 FAAH (0.54) FAAHMGLLFABP3FABP4CA9
SCHEMBL18939220 0.83 APLNR (0.53) APLNRFAAHFABP3FABP4
SCHEMBL29771936 0.83 APLNR (0.53) APLNRFAAHFABP3FABP4
SCHEMBL18939308 0.77 KMT2A (0.46) FAAHALDH1A1MAPK1ELANE
SCHEMBL26643565 0.76 KMT2A (0.45) FAAHALDH1A1MAPK1
SCHEMBL18939348 0.76 KMT2A (0.45) FAAHALDH1A1MAPK1

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
CN-108602806-B Improved apelin receptor (APJ) agonists and uses thereof 研究三角协会 2022-07-12 CN disclosed