SCHEMBL11625697

SCHEMBL11625697

CCN(CC)C(=O)Cc1cccc(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.46
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
LMNA P02545 2/20 0.41
GLS O94925 2/20 0.41
HSD11B1 P28845 1/20 0.41
CYP19A1 P11511 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
CA12 O43570 1/20 0.40

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
SCHEMBL1667374 0.88 OPRK1 (0.41) OPRK1HPGDTDP1MAOAMAOB
SCHEMBL11630519 0.83 OPRK1 (0.51) OPRK1MAOAMAOBGLSHSD11B1
SCHEMBL4247854 0.80 RAB9A (0.50) HPGDTDP1MAOBRAB9ASMN1; SMN2
SCHEMBL11628051 0.80 SMN1; SMN2 (0.55) OPRK1HPGDMAOAMAOBGRIN2D
SCHEMBL3574513 0.79 TDP1 (0.50) OPRK1HSD17B10TDP1MAOALMNA
SCHEMBL951920 0.79 LMNA (0.56) HSD17B10MAOAMAOBGRIN2DGRIN3B
SCHEMBL195224 0.78 LMNA (0.58) LMNANPC1RAB9AALDH1A1
SCHEMBL10660877 0.78 HSD17B10 (0.44) HSD17B10HPGDTDP1SMN1; SMN2ALDH1A1
SCHEMBL11628529 0.77 LTB4R (0.45) OPRK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5711616 0.77 MAOA (0.48) OPRK1MAOAMAOBGLSHSD11B1

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-2009119776-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed
US-4067726-A 3-Ureido phenylacetamide herbicides BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 US disclosed