SCHEMBL11111271

SCHEMBL11111271

CC(=O)N1CCC(C(=O)c2ccccc2F)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.59
MGLL Q99685 1/20 0.56
KMT2A Q03164 3/20 0.51
CPS1 P31327 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK14 Q16539 1/20 0.50
EPHX2 P34913 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.48
CPB1 P15086 1/20 0.47

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
SCHEMBL17938078 0.86 HSD11B1 (0.60) HSD11B1MGLLKMT2ACPS1CYP2C9
SCHEMBL6661943 0.84 HSD11B1 (0.55) HSD11B1MGLLKMT2ACPS1EPHX2
Hydrochloric Acid SCHEMBL10395819 0.83 HSD11B1 (0.53) HSD11B1MGLLKMT2ACPS1EPHX2
SCHEMBL1838212 0.82 MEN1 (0.61) HSD11B1KMT2ACPS1MEN1
SCHEMBL9865846 0.82 ALDH1A1 (0.55) HSD11B1KMT2ALMNAMEN1
SCHEMBL9377960 0.82 CCR6 (0.58) HSD11B1MGLLKMT2AKDM4EMEN1
SCHEMBL718095 0.82 CES2 (0.56) HSD11B1MGLLKMT2ACYP2C9CYP2C19
SCHEMBL29591363 0.82 CES2 (0.56) HSD11B1MGLLKMT2ACYP2C9CYP2C19
SCHEMBL11619437 0.81 CPS1 (0.56) HSD11B1MGLLKMT2ACPS1MEN1
SCHEMBL15566640 0.81 STS (0.54) HSD11B1MGLLKMT2AKDM4EMEN1

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
US-4432984-A Anti-hypertensive benzodioxan derivatives Bouchara, Emile (FR) 1984-02-21 US disclosed