SCHEMBL8557410

SCHEMBL8557410

CCC(c1ccccn1)N1CCC(C(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 3/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.43
KCNA5 P22460 3/20 0.42
KCNE1 P15382 1/20 0.42
OPRM1 P35372 4/20 0.42
POLB P06746 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39

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
SCHEMBL14515118 0.77 OPRM1 (0.41) L3MBTL1KDM4ECYP2C19ALDH1A1HSD17B10
SCHEMBL9963444 0.76 KCNA5 (0.50) ALDH1A1TSHRCYP1A2KCNA5KCNE1
SCHEMBL1514881 0.75 SLC6A4 (0.55) ALDH1A1KCNA5KCNE1
SCHEMBL1991270 0.75 POLB (0.51) L3MBTL1ALDH1A1LMNAALOX12HSD17B10
SCHEMBL9933670 0.75 SLC6A4 (0.55) ALDH1A1KCNA5KCNE1
SCHEMBL8558345 0.73 KDM4E (0.40) KDM4ECYP2C19ALDH1A1TSHRHSD17B10
SCHEMBL1514908 0.73 GPR119 (0.50) POLB
SCHEMBL9934875 0.73 GPR119 (0.50) POLB
SCHEMBL38663417 0.73 GPR119 (0.50) POLB
SCHEMBL4453658 0.72 KDM4E (0.39) L3MBTL1KDM4ECYP2C19ALDH1A1MAPT

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-0874809-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1998-11-04 EP disclosed
WO-1997025309-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1997-07-17 WO disclosed