SCHEMBL8669871

SCHEMBL8669871

O=C(CBr)NC(Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.58
MME P08473 2/20 0.57
ACE P12821 2/20 0.57
CPA1 P15085 1/20 0.57
ACE2 Q9BYF1 1/20 0.57
PIN1 Q13526 1/20 0.52
CTNNB1 P35222 1/20 0.51
MMP9 P14780 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MMP8 P22894 2/20 0.49
MMP14 P50281 1/20 0.49
TACR1 P25103 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
MMP2 P08253 1/20 0.46
ECE1 P42892 1/20 0.45
FOLH1 Q04609 1/20 0.45

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
SCHEMBL8671488 0.87 HRH4 (0.60) HRH4MMEACECPA1ACE2
SCHEMBL3662085 0.87 HRH4 (0.60) HRH4MMEACECPA1ACE2
SCHEMBL3662089 0.87 HRH4 (0.60) HRH4MMEACECPA1ACE2
SCHEMBL3654490 0.86 MME (0.64) HRH4MMEACECPA1ACE2
SCHEMBL8673936 0.86 MME (0.64) HRH4MMEACECPA1ACE2
SCHEMBL8671111 0.84 HRH4 (0.64) HRH4MMEACECPA1ACE2
SCHEMBL3660841 0.84 MME (0.62) HRH4MMEACECPA1ACE2
SCHEMBL3659514 0.84 HRH4 (0.64) HRH4MMEACECPA1ACE2
SCHEMBL8668240 0.84 MME (0.62) HRH4MMEACECPA1ACE2
SCHEMBL3661115 0.83 ACE (0.61) HRH4MMEACECPA1ACE2

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