SCHEMBL9019591

SCHEMBL9019591

[CH2]C(C)C(=O)N1CCSCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.42
DPP7 Q9UHL4 8/20 0.42
DPP8 Q6V1X1 3/20 0.42
DPP9 Q86TI2 3/20 0.42
HPGD P15428 2/20 0.39
LIPE Q05469 1/20 0.38
FAAH O00519 1/20 0.35
PHGDH O43175 1/20 0.35
MGLL Q99685 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1911508 0.82 DPP4 (0.44) DPP4DPP7DPP8DPP9HPGD
SCHEMBL6945616 0.80 DPP4 (0.43) DPP4DPP7DPP8DPP9HPGD
SCHEMBL9019588 0.79 HPGD (0.42) DPP4DPP7HPGDALDH1A1MEN1
SCHEMBL18722240 0.78 DPP4 (0.50) DPP4DPP7DPP8DPP9HPGD
SCHEMBL28071493 0.78 DPP4 (0.50) DPP4DPP7DPP8DPP9HPGD
SCHEMBL28071497 0.78 DPP4 (0.50) DPP4DPP7DPP8DPP9HPGD
SCHEMBL6044953 0.78 DPP7 (0.46) DPP4DPP7DPP8DPP9HPGD
SCHEMBL9019530 0.77 ALDH1A1 (0.44) DPP4DPP7HPGDALDH1A1MEN1
Hydrochloric Acid SCHEMBL28071553 0.77 DPP4 (0.49) DPP4DPP7DPP8DPP9HPGD
Hydrochloric Acid SCHEMBL28071551 0.77 DPP4 (0.49) DPP4DPP7DPP8DPP9HPGD

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-0515420-B1 NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1996-06-12 EP disclosed
US-5411989-A Cardiovascular disorders BOEHRINGER MANNHEIM, GMBH (DE) 1995-05-02 US disclosed