SCHEMBL8671111

SCHEMBL8671111

O=C(Cc1ccccc1)NC(Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.64
MME P08473 2/20 0.59
ACE P12821 2/20 0.59
CPA1 P15085 1/20 0.59
ACE2 Q9BYF1 1/20 0.59
PIN1 Q13526 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TACR1 P25103 1/20 0.50
CTNNB1 P35222 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
MMP9 P14780 2/20 0.49
CNR2 P34972 1/20 0.49
MMP8 P22894 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
SCHEMBL3659514 1.00 HRH4 (0.64) HRH4MMEACECPA1ACE2
SCHEMBL10722504 0.90 PIN1 (0.64) HRH4MMEACECPA1ACE2
SCHEMBL2780518 0.89 PTPN1 (0.58) HRH4MMEACECPA1ACE2
SCHEMBL8671488 0.86 HRH4 (0.60) HRH4MMEACECPA1ACE2
SCHEMBL3662085 0.86 HRH4 (0.60) HRH4MMEACECPA1ACE2
SCHEMBL3662089 0.86 HRH4 (0.60) HRH4MMEACECPA1ACE2
SCHEMBL3654490 0.84 MME (0.64) HRH4MMEACECPA1ACE2
SCHEMBL8673936 0.84 MME (0.64) HRH4MMEACECPA1ACE2
SCHEMBL8669871 0.84 HRH4 (0.58) HRH4MMEACECPA1ACE2
SCHEMBL3660841 0.83 MME (0.62) 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