SCHEMBL13634664

SCHEMBL13634664

CC[C@@H](C)NC(=O)c1cc(CN2CCO[C@@H](C)C2)ccc1NC(=O)c1csc(N2CC[C@H](OC)C2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
GRM2 Q14416 5/20 0.34
MCHR1 Q99705 2/20 0.34
KCNH2 Q12809 1/20 0.34
SCD O00767 2/20 0.34
SCD5 Q86SK9 2/20 0.34
HCAR1 Q9BXC0 1/20 0.34
OPRK1 P41145 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PARP1 P09874 1/20 0.32
TNK1 Q13470 1/20 0.32
UGT8 Q16880 1/20 0.32

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
SCHEMBL13164103 0.94 ACKR3 (0.36) KMT2AGRM2MCHR1KCNH2SCD
SCHEMBL13634766 0.92 KMT2A (0.41) KMT2AKCNH2OPRK1
SCHEMBL13164112 0.90 GRM2 (0.37) KMT2AGRM2MCHR1KCNH2SCD
SCHEMBL13639001 0.89 KMT2A (0.38) KMT2AGRM2KCNH2SCDSCD5
SCHEMBL2770243 0.89 KMT2A (0.38) KMT2AGRM2KCNH2SCDSCD5
SCHEMBL13634657 0.89 DRD4 (0.41) KMT2AGRM2MCHR1KCNH2SCD
SCHEMBL13634656 0.89 DRD4 (0.41) KMT2AGRM2MCHR1KCNH2SCD
SCHEMBL13164111 0.87 MCHR1 (0.38) KMT2AGRM2MCHR1KCNH2OPRK1
SCHEMBL13162737 0.87 GRM2 (0.36) KMT2AGRM2MCHR1KCNH2SCD
SCHEMBL13634734 0.87 KMT2A (0.41) KMT2AKCNH2OPRK1

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