SCHEMBL7597372

SCHEMBL7597372

C[C@H](c1ccc(Oc2ccccc2)cc1)N(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CCCNC(=N)N)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.40
F7 P08709 1/20 0.40
ALOX5 P09917 3/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
EPOR P19235 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
NPY5R Q15761 3/20 0.35
BMP1 P13497 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LTA4H P09960 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
SCHEMBL7596641 0.93 CNR1 (0.47) ALOX5CNR1CNR2TRPM8BMP1
SCHEMBL7595822 0.93 CNR1 (0.47) ALOX5CNR1CNR2TRPM8BMP1
SCHEMBL7595142 0.93 TRPM8 (0.41) ALOX5CNR1CNR2TRPM8
SCHEMBL7595802 0.93 TRPM8 (0.41) ALOX5CNR1CNR2TRPM8
SCHEMBL7596200 0.90 TRPM8 (0.37) ALOX5CNR1CNR2TRPM8SMN1; SMN2
SCHEMBL1382274 0.90 CNR1 (0.42) CNR1CNR2TRPM8NPY5R
SCHEMBL7598351 0.90 CNR1 (0.42) CNR1CNR2TRPM8NPY5R
SCHEMBL28032819 0.90 CNR1 (0.42) CNR1CNR2TRPM8NPY5R
SCHEMBL7596920 0.90 ALOX5 (0.50) F7ALOX5EPORACACBNPY5R
SCHEMBL7597379 0.89 CNR1 (0.43) ALOX5CNR1CNR2TRPM8

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