SCHEMBL7980833

SCHEMBL7980833

Cn1cccc1CCNC(=O)CCN1CNc2c1nc(N)[nH]c2=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 6/20 0.45
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 1/20 0.32
CNR2 P34972 1/20 0.32
TP53 P04637 1/20 0.31
LMNA P02545 1/20 0.31
HSD11B1 P28845 1/20 0.31
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL7982326 0.82 HPRT1 (0.51) HPRT1KDM4EALDH1A1GAA
SCHEMBL7570074 0.82 HPRT1 (0.53) HPRT1KDM4EALDH1A1GAALMNA
SCHEMBL7575108 0.82 HPRT1 (0.53) HPRT1
SCHEMBL7570874 0.82 HPRT1 (0.45) HPRT1KDM4EALDH1A1CYP2C9CYP2C19
SCHEMBL7567089 0.81 HPRT1 (0.54) HPRT1
SCHEMBL7576799 0.80 HPRT1 (0.51) HPRT1LMNA
SCHEMBL7570897 0.80 CA1 (0.50) HPRT1ALDH1A1POLBRXFP1
SCHEMBL7570987 0.80 MEN1 (0.51) ALDH1A1CYP2C19LMNATSHR
SCHEMBL7575074 0.79 HPRT1 (0.48) HPRT1KDM4EALDH1A1CYP2C19GAA
SCHEMBL7570941 0.79 HPRT1 (0.49) HPRT1

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
US-6297226-B1 TREATING A DISEASE OR A CONDITION IN A MAMMAL TREATABLE BY INHIBITING THE ACTIVITY OF A MONOAMINE OXIDASE NEOTHERAPEUTICS, INC. 2001-10-02 US claimed
US-6297226-B1 TREATING A DISEASE OR A CONDITION IN A MAMMAL TREATABLE BY INHIBITING THE ACTIVITY OF A MONOAMINE OXIDASE NEOTHERAPEUTICS, INC. 2001-10-02 US disclosed