SCHEMBL7595138

SCHEMBL7595138

C[C@H](c1ccc(CNC(N)=O)cc1)N(C(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[C@H](CCCNC(=N)N)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPY1R P25929 2/20 0.35
NPY2R P49146 1/20 0.35
NPY5R Q15761 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
UTS2R Q9UKP6 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MDM2 Q00987 1/20 0.33
TSHR P16473 1/20 0.33
NPY4R P50391 1/20 0.33

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
SCHEMBL7600989 0.92 NPY1R (0.41) KMT2AMEN1NPY1RNPY5RPOLB
SCHEMBL7596845 0.90 CNR2 (0.35) KMT2AMEN1RAB9ASMN1; SMN2NPY1R
SCHEMBL7596719 0.89 CYP2C9 (0.48) CYP2C9CYP2C19KMT2AMEN1RAB9A
SCHEMBL7597057 0.89 NPY4R (0.38) NPY1RNPY2RNPY5RCNR1CNR2
SCHEMBL6898666 0.86 CYP2C9 (0.45) CYP2C9CYP2C19KMT2AMEN1RAB9A
SCHEMBL7597835 0.85 FOLH1 (0.42) CYP2C9CYP2C19SMN1; SMN2NPY1RNPY2R
SCHEMBL8059173 0.84 CYP2C9 (0.44) CYP2C9CYP2C19KMT2AMEN1RAB9A
SCHEMBL7595802 0.82 TRPM8 (0.41) NPY1RCNR1CNR2
SCHEMBL7595142 0.82 TRPM8 (0.41) NPY1RCNR1CNR2
SCHEMBL7600642 0.81 ITGB3 (0.36) KMT2AMEN1NPY1RNPY2RNPY5R

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-1017672-B1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 2002-11-27 EP claimed
EP-1017672-B1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 2002-11-27 EP disclosed