SCHEMBL12530438

SCHEMBL12530438

COc1ccc(Cn2c(CCCNC(N)=O)cc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 9/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.41
PROKR2 Q8NFJ6 1/20 0.41

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
SCHEMBL5175180 0.90 PROKR1 (0.42) PROKR1POLBPROKR2
SCHEMBL10267964 0.87 RGS4 (0.42) PROKR1TP53PROKR2
SCHEMBL325745 0.85 DYRK1A (0.42) POLBGAATP53
SCHEMBL326810 0.83 PROKR2 (0.45) PROKR1PROKR2
SCHEMBL14900197 0.79 RGS4 (0.48) PROKR1PROKR2
SCHEMBL325145 0.78 ALDH1A1 (0.49) POLBGAA
SCHEMBL8577834 0.77 POLB (0.63) POLB
SCHEMBL14463668 0.76 ALDH1A1 (0.49) PROKR1POLBGAAPROKR2
SCHEMBL8520540 0.74 MTNR1A (0.44)
SCHEMBL1752475 0.73 PROKR1 (0.48) PROKR1GAATP53PROKR2

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-7968710-B2 Gastrointestinal disorders;inflammatory bowel disorders; gastroesophageal reflux; constipation JANSSEN PHARMACEUTICA NV (BE) 2011-06-28 US disclosed
US-7968710-B2 Gastrointestinal disorders;inflammatory bowel disorders; gastroesophageal reflux; constipation JANSSEN PHARMACEUTICA NV (BE) 2011-06-28 US disclosed