SCHEMBL27760481

SCHEMBL27760481

NCC(CC=O)NCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADH1B P00325 1/20 0.44
▸ ADH1C P00326 1/20 0.44
▸ ADH1A P07327 1/20 0.44
▸ ADH7 P40394 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ IDO1 P14902 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ACP3 P15309 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ANPEP P15144 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
SCHEMBL13675824 0.83 SIGMAR1 (0.44) ADH1BADH1CADH1AADH7SMN1; SMN2
SCHEMBL9063693 0.83 SIGMAR1 (0.44) ADH1BADH1CADH1AADH7SMN1; SMN2
SCHEMBL170305 0.78 SIGMAR1 (0.55) SIGMAR1EPHX1IDO1CYP3A4MAPT
SCHEMBL21835602 0.78 SIGMAR1 (0.55) SIGMAR1EPHX1IDO1CYP3A4MAPT
SCHEMBL10797644 0.78 SIGMAR1 (0.55) SIGMAR1EPHX1IDO1CYP3A4MAPT
SCHEMBL14495877 0.77 SIGMAR1 (0.44) SIGMAR1IDO1ACP3TSHRCYP1A2
SCHEMBL13675822 0.75 SIGMAR1 (0.61) ADH1BADH1CADH1AADH7SMN1; SMN2
SCHEMBL10696254 0.75 SIGMAR1 (0.61) ADH1BADH1CADH1AADH7SMN1; SMN2
SCHEMBL9063684 0.75 SIGMAR1 (0.61) ADH1BADH1CADH1AADH7SMN1; SMN2
SCHEMBL9063691 0.74 SMN1; SMN2 (0.70) ADH1BADH1CADH1AADH7SMN1; SMN2

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
CN-101553474-B Imidazolidinone and imidazolidinone derivatives as 11b-HSD1 inhibitors for diabetes HOFFMANN LA ROCHE 2013-02-27 — — CN disclosed
CN-101553474-A Imidazolidinone and imidazolidinone derivatives as 11 b-HSD 1 inhibitors for diabetes HOFFMANN LA ROCHE (CH) 2009-10-07 — — CN disclosed
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