SCHEMBL3720941

SCHEMBL3720941

CCCC(F)OC(=O)N1CCC(c2cc(C(=O)N3CCCC4CCCCC43)cs2)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.59
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B1 P14061 1/20 0.36
CNR2 P34972 1/20 0.35
PDE4B Q07343 4/20 0.34
CHRM1 P11229 2/20 0.32
IDO1 P14902 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL13124618 0.87 HSD11B1 (0.61) HSD11B1POLBTDP1HSD17B1CNR2
SCHEMBL3799204 0.83 HSD11B1 (0.66) HSD11B1POLBTDP1HSD17B1CNR2
SCHEMBL3659658 0.83 HSD11B1 (0.36) HSD11B1PDE4BALDH1A1
SCHEMBL3799202 0.83 HSD11B1 (0.66) HSD11B1POLBTDP1HSD17B1CNR2
SCHEMBL3661604 0.80 ALDH1A1 (0.40) HSD11B1POLBTDP1PDE4BALDH1A1
SCHEMBL3794868 0.80 HSD11B1 (0.60) HSD11B1POLBTDP1CNR2PDE4B
SCHEMBL3796683 0.80 HSD11B1 (0.60) HSD11B1POLBTDP1CNR2PDE4B
SCHEMBL3794865 0.80 HSD11B1 (0.60) HSD11B1POLBTDP1CNR2PDE4B
SCHEMBL3802528 0.80 HSD11B1 (0.64) HSD11B1POLBTDP1HSD17B1CNR2
SCHEMBL3802530 0.80 HSD11B1 (0.64) HSD11B1POLBTDP1HSD17B1CNR2

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-2229374-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE AS 11-BETA-HSD1 INHIBITORS THE UNIVERSITY OF EDINBURGH (GB) 2010-09-22 EP disclosed
WO-2009074789-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE AS 11-BETA-HSD1 INHIBITORS THE UNIVERSITY OF EDINBURGH (GB) 2009-06-18 WO disclosed