SCHEMBL7446255

SCHEMBL7446255

CCOc1cccc(OCC)c1C(C(N)=O)N1CCC(=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 2/20 0.39
NOD2 Q9HC29 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TNF P01375 1/20 0.37
KMT2A Q03164 1/20 0.36
GLA P06280 1/20 0.36
KCNA3 P22001 1/20 0.36
DAO P14920 1/20 0.36
ACACB O00763 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CYP2A6 P11509 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7289950 0.85 SLC6A2 (0.47) NPSR1NOD2
SCHEMBL7435488 0.78 CYP3A4 (0.36) NPSR1ALDH1A1LMNAPOLBKMT2A
SCHEMBL7291944 0.76 TSHR (0.56) KDM4ENPSR1ALDH1A1LMNAL3MBTL1
SCHEMBL7434230 0.75 P2RX7 (0.38) NPSR1ALDH1A1POLBL3MBTL1KMT2A
SCHEMBL7444020 0.71 L3MBTL1 (0.46) KDM4EALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL7434817 0.70 LMNA (0.51) NPSR1ALDH1A1LMNAKMT2A
SCHEMBL7438106 0.70 GAA (0.34) KDM4EALDH1A1POLBKMT2A
SCHEMBL11847697 0.69 HTR3E (0.43) LMNA
SCHEMBL7437442 0.69 TSHR (0.45) NPSR1LMNA
SCHEMBL7439650 0.69 CHRM2 (0.56) KDM4EALDH1A1LMNAPOLBL3MBTL1

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
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed