SCHEMBL4537511

SCHEMBL4537511

O=C(CC1CCNC1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.84
EPHX2 P34913 5/20 0.57
SLC6A1 P30531 2/20 0.49
GABRA5 P31644 2/20 0.49
GABRB2 P47870 2/20 0.49
SLC6A12 P48065 2/20 0.49
SLC6A11 P48066 2/20 0.49
SLC6A13 Q9NSD5 2/20 0.49
GABRA1 P14867 1/20 0.49
GABRR1 P24046 1/20 0.49
GABRA4 P48169 1/20 0.49
CACNA1H O95180 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 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
SCHEMBL4542363 0.91 EPHX1 (1.00) EPHX1EPHX2CACNA1HHDAC3HDAC4
SCHEMBL4535957 0.91 EPHX1 (1.00) EPHX1EPHX2CACNA1HHDAC3HDAC4
SCHEMBL8066381 0.79 EPHX1 (0.84) EPHX1EPHX2
SCHEMBL19798447 0.78 EPHX1 (0.71) EPHX1EPHX2CACNA1HHDAC3HDAC4
Hydrochloric Acid SCHEMBL18686528 0.76 EPHX1 (0.64) EPHX1EPHX2CACNA1HHDAC3HDAC4
Hydrochloric Acid SCHEMBL18686525 0.76 EPHX1 (0.64) EPHX1EPHX2CACNA1HHDAC3HDAC4
Hydrochloric Acid SCHEMBL18686624 0.76 EPHX1 (0.64) EPHX1EPHX2CACNA1HHDAC3HDAC4
SCHEMBL4541405 0.73 EPHX1 (0.62) EPHX1EPHX2HDAC3HDAC4HDAC1
SCHEMBL8925408 0.73 EPHX2 (1.00) EPHX1EPHX2
SCHEMBL4228257 0.73 EPHX1 (0.64) EPHX1EPHX2HDAC3HDAC4HDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed