SCHEMBL7363619

SCHEMBL7363619

CCCCCC(=O)NCc1ccc(OCCN(C(C)C)C(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.61
LMNA P02545 1/20 0.57
CNR1 P21554 2/20 0.54
EPHX2 P34913 2/20 0.52
CNR2 P34972 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.49
FAAH O00519 2/20 0.48
TRPV1 Q8NER1 1/20 0.48
LTA4H P09960 1/20 0.48

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
SCHEMBL7329576 0.86 STS (0.60) STSLMNACNR1EPHX2CNR2
SCHEMBL9320928 0.81 STS (0.66) STSLMNACNR1EPHX2CNR2
SCHEMBL4134472 0.79 STS (0.67) STSLMNACNR1EPHX2CNR2
SCHEMBL7363615 0.79 MCHR1 (0.51) LTA4H
SCHEMBL8594556 0.78 EPHX2 (0.60) STSLMNACNR1EPHX2CNR2
SCHEMBL16762031 0.77 CNR1 (0.82) STSCNR1EPHX2CNR2ALDH1A1
SCHEMBL3809498 0.76 EPHX2 (0.84) STSCNR1EPHX2CNR2HPGD
SCHEMBL12215285 0.76 CNR1 (0.85) STSCNR1EPHX2CNR2HPGD
SCHEMBL7336231 0.75 THRA (0.57) STSLMNACNR1HPGDLTA4H
SCHEMBL9321143 0.75 CNR1 (0.73) STSCNR1EPHX2CNR2FAAH

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
EP-0434365-A2 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1991-06-26 EP claimed