Sugi Predict

Sugi Predict / Compounds / SCHEMBL13638819

SCHEMBL13638819

SCHEMBL13638819

COCCNC(=O)c1cc(CN2CCC3(CCCO3)CC2)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.37
▸ PARP1 P09874 1/20 0.35
▸ TNK1 Q13470 1/20 0.35
▸ FFAR1 O14842 3/20 0.35
▸ CHRM2 P08172 4/20 0.34
▸ CHRM3 P20309 4/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34

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
SCHEMBL13634710 0.94 MCHR1 (0.37) MCHR1PARP1TNK1FFAR1CHRM2
SCHEMBL2770473 0.90 KMT2A (0.44) MCHR1KMT2AOPRK1
SCHEMBL13638933 0.90 MCHR1 (0.39) MCHR1PARP1TNK1KMT2A
SCHEMBL13638826 0.88 MCHR1 (0.40) MCHR1PARP1TNK1KMT2AOPRK1
SCHEMBL13634684 0.88 MCHR1 (0.39) MCHR1PARP1TNK1
SCHEMBL13638765 0.87 MCHR1 (0.37) MCHR1PARP1TNK1KMT2AOPRK1
SCHEMBL13638938 0.87 MCHR1 (0.37) MCHR1PARP1TNK1KMT2AOPRK1
SCHEMBL13638761 0.87 KMT2A (0.46) CHRM2CHRM3KMT2AOPRK1
SCHEMBL13634612 0.86 MCHR1 (0.38) MCHR1PARP1TNK1KMT2AOPRK1
SCHEMBL13638994 0.86 MCHR1 (0.37) MCHR1PARP1TNK1KMT2AOPRK1

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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 — — US disclosed