SCHEMBL6561560

SCHEMBL6561560

CCCc1c(O)cccc1CCN

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.57
HTR2C P28335 1/20 0.44
HMGB1 P09429 1/20 0.42
IAPP P10997 1/20 0.40
BACE1 P56817 1/20 0.40
HTR1A P08908 1/20 0.40
MEN1 O00255 2/20 0.39
RAD52 P43351 2/20 0.39
RECQL P46063 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
GAPDH P04406 1/20 0.39
THRB P10828 1/20 0.39
APEX1 P27695 1/20 0.39
BLM P54132 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL8680504 0.88 TAAR1 (0.65) TAAR1HTR2CHMGB1MEN1RAD52
SCHEMBL31290573 0.88 IAPP (0.44) IAPPHTR1ABIDMCL1BCL2L1
SCHEMBL218408 0.88 IAPP (0.44) IAPPHTR1ABIDMCL1BCL2L1
SCHEMBL27589437 0.86 BID (0.51) TAAR1KDM4EMAPTALOX15HSD17B10
SCHEMBL11833247 0.86 BID (0.51) TAAR1KDM4EMAPTALOX15HSD17B10
SCHEMBL31737937 0.83 TAAR1 (0.44) TAAR1IAPPHTR1AKDM4EMAPT
SCHEMBL28788486 0.83 BID (0.50) IAPPKDM4EMAPTALOX15HSD17B10
SCHEMBL983928 0.82 GABRA1 (0.52) IAPPHTR1ABIDMCL1BCL2L1
SCHEMBL3670450 0.81 TAAR1 (0.45) TAAR1HMGB1MAPT
SCHEMBL1796696 0.81 IAPP (0.42) IAPPHTR1AMEN1KMT2AKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP disclosed
EP-0904079-A4 1999-05-06 EP disclosed
EP-0904079-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-03-31 EP disclosed
US-5859051-A ACETYLPHENOL DERIVATIVES MERCK & CO., INC. (US) 1999-01-12 US disclosed
WO-1997027857-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed