SCHEMBL8205935

SCHEMBL8205935

CONC(=O)c1cc(OCCCc2ccccc2)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.50
FFAR1 O14842 2/20 0.48
MTNR1B P49286 3/20 0.46
MTNR1A P48039 2/20 0.46
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
LTA4H P09960 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
HPGD P15428 1/20 0.44
MCL1 Q07820 1/20 0.43
BCL2A1 Q16548 1/20 0.43
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL6187334 0.81 FFAR1 (0.46) SIRT2FFAR1MTNR1BMTNR1AS1PR1
SCHEMBL6909753 0.78 KMT2A (0.55) MTNR1BMTNR1AMEN1KMT2ANPC1
SCHEMBL8206423 0.76 CYP1A2 (0.49) SIRT2MTNR1BMTNR1ACYP1A2CYP2C9
SCHEMBL8199077 0.75 BRAF (0.51) MEN1KMT2ACYP1A2CYP2C9NPC1
SCHEMBL312285 0.74 FFAR1 (0.59) SIRT2FFAR1S1PR1S1PR3MAOA
SCHEMBL29706545 0.74 FFAR1 (0.59) SIRT2FFAR1S1PR1S1PR3MAOA
SCHEMBL6185416 0.74 SIRT2 (0.45) SIRT2FFAR1MTNR1BMTNR1AS1PR1
SCHEMBL8206774 0.74 CASP3 (0.47) SIRT2NPC1RAB9AMAOAMCL1
SCHEMBL7909139 0.73 MAOB (0.56) FFAR1MEN1KMT2AMAOAMAOB
SCHEMBL23882144 0.73 ALDH1A1 (0.46) MEN1KMT2AHPGDMCL1BCL2A1

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
EP-0979227-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
WO-1998047882-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-29 WO disclosed