SCHEMBL9548993

SCHEMBL9548993

O=C(O)Cc1cccc2c1CCO2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 12/20 0.48
MTNR1A P48039 12/20 0.48
AKR1B1 P15121 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
SLC9A1 P19634 2/20 0.40
SLC9A5 Q14940 1/20 0.39
SLC9A2 Q9UBY0 1/20 0.39
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38

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
SCHEMBL27640857 0.90 MTNR1A (0.46) MTNR1BMTNR1AAKR1B1TDP1DUSP3
SCHEMBL21626216 0.85 MTNR1B (0.47) MTNR1BMTNR1ASLC9A1SLC9A5SLC9A2
SCHEMBL21224523 0.80 MTNR1A (0.50) MTNR1BMTNR1A
SCHEMBL8405200 0.79 MTNR1B (0.52) MTNR1BMTNR1ASLC9A1SLC9A5SLC9A2
SCHEMBL6192119 0.79 MTNR1B (0.46) MTNR1BMTNR1ASLC9A1SLC9A5SLC9A2
SCHEMBL31285847 0.79 AKR1B1 (0.42) AKR1B1TDP1DUSP3PTPN5PTPN11
SCHEMBL3639598 0.78 MTNR1A (0.59) MTNR1AAKR1B1TDP1
SCHEMBL6948957 0.76 MTNR1A (0.48) MTNR1BMTNR1ASLC9A1SLC9A5SLC9A2
SCHEMBL6950092 0.76 MTNR1A (0.44) MTNR1BMTNR1ASLC9A1
SCHEMBL21409034 0.75 MTNR1B (0.43) MTNR1BMTNR1A

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
WO-1993012754-A2 TERTIARY AND SECONDARY AMINES AS ALPHA-2 ANTAGONISTS AND SEROTONIN UPTAKE INHIBITORS ABBOTT LABORATORIES (US) 1993-07-08 WO claimed
WO-1993012754-A2 TERTIARY AND SECONDARY AMINES AS ALPHA-2 ANTAGONISTS AND SEROTONIN UPTAKE INHIBITORS ABBOTT LABORATORIES (US) 1993-07-08 WO disclosed