SCHEMBL6350520

SCHEMBL6350520

CC1(C)COC(C(O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)=N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.49
ATM Q13315 1/20 0.45
CTRB1 P17538 2/20 0.45
CTSB P07858 2/20 0.43
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
TACR1 P25103 3/20 0.42
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 1/20 0.42
CYP3A4 P08684 4/20 0.41
TSHR P16473 4/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL7359622 0.87 KLK5 (0.48) ATMCTSBCTSLCTSSCTSK
SCHEMBL6352237 0.86 TRPM8 (0.45) TRPM8ATMCTRB1CTSBCTSL
SCHEMBL6349525 0.80 TRPM8 (0.49) TRPM8ATMCTRB1CTSBCTSL
SCHEMBL8066015 0.80 TRPM8 (0.49) TRPM8ATMCTRB1CTSBCTSL
SCHEMBL1709149 0.78 PSMB9 (0.55) TRPM8ATMCTRB1CTSBCTSL
SCHEMBL1709152 0.78 PSMB9 (0.55) TRPM8ATMCTRB1CTSBCTSL
SCHEMBL12052767 0.78 PSMB9 (0.55) TRPM8ATMCTRB1CTSBCTSL
SCHEMBL14725144 0.78 PSMB9 (0.55) TRPM8ATMCTRB1CTSBCTSL
SCHEMBL1701914 0.78 PSMB9 (0.55) TRPM8ATMCTRB1CTSBCTSL
SCHEMBL17452278 0.78 PSMB9 (0.55) TRPM8ATMCTRB1CTSBCTSL

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-6960575-B2 For use as inhibitors of chymase SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-6713472-B1 2-OXO-1,2,3,4-TETRAHYDROPYRAZINE DERIVATIVES; CHYMASE INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-03-30 US disclosed