SCHEMBL7354501

SCHEMBL7354501

CCOC(=O)CN(C(=O)Oc1ccc2c(c1)c(C(=O)CCc1ccc(C#N)cc1)cn2C)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP14 P54578 3/20 0.39
POLB P06746 2/20 0.37
RXFP1 Q9HBX9 3/20 0.37
MAPT P10636 1/20 0.37
PDE2A O00408 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 1/20 0.35
ITK Q08881 2/20 0.35
CCR5 P51681 1/20 0.34
ACHE P22303 1/20 0.34
TP53 P04637 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL7360796 0.96 USP14 (0.37) USP14POLBRXFP1MAPTITK
Hydrochloric Acid SCHEMBL7350521 0.88 POLB (0.37) POLBRXFP1MAPTPDE2APDE3B
SCHEMBL7354323 0.86 USP14 (0.38) USP14MAPT
SCHEMBL7356649 0.85 USP14 (0.37) USP14MAPT
SCHEMBL7359771 0.84 PSMB5 (0.39) USP14MAPT
Hydrochloric Acid SCHEMBL7360554 0.84 F2 (0.37)
SCHEMBL7353094 0.82 ELANE (0.35) USP14POLBMAPTL3MBTL1ALDH1A1
SCHEMBL7352796 0.80 GAA (0.35) USP14POLBMAPTL3MBTL1ALDH1A1
SCHEMBL7356973 0.80 USP14 (0.33) USP14MAPT
SCHEMBL7362376 0.79 KMT2A (0.39) USP14POLBMAPTALDH1A1

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
WO-1999028297-A1 SUBSTITUTED INDOLES, HAVING A THROMBIN INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-06-10 WO disclosed