SCHEMBL2127227

SCHEMBL2127227

O=C(O)CCn1ccc2cccnc21

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.62
DAO P14920 1/20 0.51
PARP1 P09874 1/20 0.50
ESR1 P03372 1/20 0.50
POLB P06746 2/20 0.49
P2RX7 Q99572 1/20 0.47
KMO O15229 2/20 0.46
MAPT P10636 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
EGLN3 Q9H6Z9 1/20 0.44
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43
ITGB5 P18084 1/20 0.43
ENPP1 P22413 1/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL28922916 0.91 MTNR1A (0.59) MTNR1ADAOPARP1ESR1POLB
SCHEMBL114693 0.84 MTNR1A (0.57) MTNR1ADAOPARP1P2RX7SLC22A12
SCHEMBL5779450 0.80 MTNR1A (0.60) MTNR1ADAOPARP1P2RX7SLC22A12
SCHEMBL8135642 0.80 MTNR1A (0.56) MTNR1ADAOPARP1P2RX7SLC22A12
SCHEMBL7015284 0.80 FFAR1 (0.52) MTNR1AITGB3ITGAVITGB5LMNA
SCHEMBL30462513 0.78 MTNR1A (0.57) MTNR1ADAOPARP1P2RX7SLC22A12
SCHEMBL2843620 0.77 MTNR1A (0.64) MTNR1ADAOPARP1P2RX7SLC22A12
SCHEMBL8134945 0.77 MTNR1A (0.56) MTNR1ADAOPARP1P2RX7SLC22A12
SCHEMBL8827650 0.77 MTNR1A (0.56) MTNR1ADAOPARP1P2RX7SLC22A12
SCHEMBL7771626 0.77 MTNR1A (0.60) MTNR1ADAOPARP1P2RX7SLC22A12

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-2443115-A1 COMPOUNDS Glaxo Group Limited (GB) 2012-04-25 EP disclosed
WO-2010145201-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 WO disclosed