SCHEMBL6987815

SCHEMBL6987815

C1CCC(CCNCC2CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAT1 P21673 1/20 0.45
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
EPHX1 P07099 3/20 0.42
HRH4 Q9H3N8 3/20 0.41
HRH3 Q9Y5N1 3/20 0.41
SIGMAR1 Q99720 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 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
SCHEMBL14606660 0.95 ADH1B (0.48) SAT1ADH1BADH1CADH1AADH4
SCHEMBL24500037 0.95 ADH1B (0.48) SAT1ADH1BADH1CADH1AADH4
SCHEMBL1678834 0.92 SAT1 (0.50) SAT1ADH1BADH1CADH1AADH4
SCHEMBL11594234 0.81 ADH1B (0.54) SAT1ADH1BADH1CADH1AADH4
SCHEMBL716430 0.81 SIGMAR1 (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1679009 0.81 ADH1B (0.52) SAT1ADH1BADH1CADH1AADH4
SCHEMBL1678338 0.78 ADH1B (0.56) SAT1ADH1BADH1CADH1AADH4
SCHEMBL1678148 0.78 ADH1B (0.56) SAT1ADH1BADH1CADH1AADH4
SCHEMBL1679343 0.78 ADH1B (0.56) SAT1ADH1BADH1CADH1AADH4
SCHEMBL10045093 0.78 SAT1 (0.65) SAT1ADH1BADH1CADH1AADH4

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-1268434-A1 CYCLIC LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2003-01-02 EP disclosed
WO-2001074784-A1 CYCLIC LACTAMS AS INHIBITORS OF A-β PROTEIN PRODUCTION DUPONT PHARMACEUTICALS COMPANY (US) 2001-10-11 WO disclosed