SCHEMBL27952648

SCHEMBL27952648

CCOC(=O)N1CCC2CCCC21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 1/20 0.48
▸ ELANE P08246 1/20 0.43
▸ CTSG P08311 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ POLB P06746 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ TSHR P16473 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ ABL1 P00519 1/20 0.37

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
SCHEMBL11192262 0.97 ALDH1A1 (0.45) DPP7ELANECTSGALDH1A1OPRM1
SCHEMBL13102890 0.93 RAB9A (0.42) DPP7ELANECTSGALDH1A1OPRM1
SCHEMBL27797167 0.86 ALDH1A1 (0.45) ELANECTSGALDH1A1OPRM1OPRK1
SCHEMBL17001672 0.85 RAB9A (0.39) ELANECTSGALDH1A1OPRM1OPRK1
SCHEMBL30477417 0.82 DPP7 (0.46) DPP7OPRM1OPRK1POLBSMN1; SMN2
SCHEMBL23343880 0.79 DPP7 (0.50) DPP7OPRM1OPRK1KMT2APOLB
SCHEMBL18477510 0.78 NR1H2 (0.46) DPP7OPRK1NPC1
SCHEMBL30915775 0.78 NR1H2 (0.46) DPP7OPRK1NPC1
SCHEMBL30915772 0.78 NR1H2 (0.46) DPP7OPRK1NPC1
SCHEMBL30477418 0.77 SMN1; SMN2 (0.53) ELANECTSGSMN1; SMN2NPC1RAB9A

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
CN-103664739-A Telaprevir intermediate preparation method HUNAN KEYUAN BIO PRODUCTS CO LTD 2014-03-26 — — CN disclosed
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