SCHEMBL6352237

SCHEMBL6352237

O=C(N[C@@H](Cc1ccccc1)C(O)C1=NC2(CCCC2)CO1)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.45
CTRB1 P17538 2/20 0.43
TACR1 P25103 3/20 0.42
ATM Q13315 1/20 0.41
CTSB P07858 2/20 0.41
ECE1 P42892 1/20 0.40
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
SPPL2A Q8TCT8 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ACE P12821 1/20 0.38

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
SCHEMBL6350520 0.86 TRPM8 (0.49) TRPM8CTRB1TACR1ATMCTSB
SCHEMBL6349525 0.78 TRPM8 (0.49) TRPM8CTRB1TACR1ATMCTSB
SCHEMBL8066015 0.78 TRPM8 (0.49) TRPM8CTRB1TACR1ATMCTSB
SCHEMBL2736202 0.72 TRPM8 (0.64) TRPM8CTRB1TACR1ATMCTSB
SCHEMBL2736218 0.72 TRPM8 (0.64) TRPM8CTRB1TACR1ATMCTSB
SCHEMBL7337287 0.72 TRPM8 (0.64) TRPM8CTRB1TACR1ATMCTSB
SCHEMBL4949767 0.72 TRPM8 (0.64) TRPM8CTRB1TACR1ATMCTSB
SCHEMBL9421829 0.72 TRPM8 (0.64) TRPM8CTRB1TACR1ATMCTSB
SCHEMBL5916913 0.72 TRPM8 (0.64) TRPM8CTRB1TACR1ATMCTSB
SCHEMBL17452278 0.72 PSMB9 (0.55) TRPM8CTRB1TACR1ATMCTSB

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