SCHEMBL8674201

SCHEMBL8674201

CCc1ccc2[nH]ccc2c1CC(NC(C)=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.43
ALOX15 P16050 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
ACE P12821 3/20 0.40
TACR1 P25103 1/20 0.39
EDNRA P25101 1/20 0.39
ITGB2 P05107 2/20 0.38
ICAM1 P05362 2/20 0.38
ITGAL P20701 2/20 0.38
LMNA P02545 1/20 0.38
ECE1 P42892 3/20 0.37
P2RX7 Q99572 1/20 0.36

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
SCHEMBL8670193 0.85 MTNR1A (0.42) TNFALOX15MTNR1AMTNR1BEGFR
SCHEMBL8668930 0.83 MTNR1A (0.60) TNFALOX15MTNR1AMTNR1BEGFR
SCHEMBL8671978 0.81 ALOX15 (0.57) TNFALOX15ACETACR1ITGB2
SCHEMBL8669962 0.76 TNF (0.39) TNFALOX15MTNR1AMTNR1BEGFR
SCHEMBL8672201 0.75 ALOX15 (0.39) TNFALOX15MTNR1AMTNR1BEGFR
Acetyltryptophan SCHEMBL702442 0.70 ALOX15 (0.79) ALOX15ACETACR1ITGB2ICAM1
Acetyltryptophan SCHEMBL57141 0.70 ALOX15 (0.79) ALOX15ACETACR1ITGB2ICAM1
Acetyltryptophan SCHEMBL29360698 0.70 ALOX15 (0.79) ALOX15ACETACR1ITGB2ICAM1
Acetyltryptophan SCHEMBL29401158 0.70 ALOX15 (0.79) ALOX15ACETACR1ITGB2ICAM1
Acetyltryptophan SCHEMBL4216450 0.70 ALOX15 (0.79) ALOX15ACETACR1ITGB2ICAM1

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-5849781-A Tricyclic amides ADIR ET COMPAGNIE (FR) 1998-12-15 US disclosed
US-5712312-A MELATONINERGIC RECEPTOR LIGANDS, TREATMENT OF SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1998-01-27 US disclosed