SCHEMBL6983120

SCHEMBL6983120

C1CCC(NC[C]2CCCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.57
DPP7 Q9UHL4 2/20 0.52
PABPC1 P11940 1/20 0.50
POLB P06746 1/20 0.48
CXCR4 P61073 3/20 0.46
CXCL12 P48061 1/20 0.46
USP2 O75604 1/20 0.46
HDAC1 Q13547 1/20 0.44
HTT P42858 2/20 0.44
GLA P06280 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL10953965 0.78 HRH3 (0.88) HRH3PABPC1POLBCXCR4CXCL12
SCHEMBL3249083 0.76 DPP7 (0.48) HRH3DPP7CXCR4CXCL12KDM4E
SCHEMBL5864236 0.70 HRH3 (0.72) HRH3POLBCXCR4CXCL12HDAC1
SCHEMBL21799935 0.70 HRH3 (0.72) HRH3PABPC1POLBCXCR4CXCL12
SCHEMBL5863541 0.70 HRH3 (0.67) HRH3POLBCXCR4CXCL12HDAC1
SCHEMBL11615671 0.70 POLB (0.93) HRH3POLBCXCR4CXCL12HDAC1
SCHEMBL3862351 0.70 HRH3 (0.72) HRH3PABPC1POLBCXCR4CXCL12
SCHEMBL5863714 0.70 POLB (0.93) HRH3POLBCXCR4CXCL12HDAC1
SCHEMBL1042778 0.70 HRH3 (0.72) HRH3PABPC1POLBCXCR4CXCL12
SCHEMBL4600037 0.70 HRH3 (0.72) HRH3POLBCXCR4CXCL12USP2

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