SCHEMBL8774475

SCHEMBL8774475

CCCCCc1ccc(C#Cc2cc(F)c(F)nc2Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.40
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.38
KCNH2 Q12809 4/20 0.37
RARB P10826 2/20 0.36
RARA P10276 1/20 0.36
RARG P13631 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
ESR1 P03372 2/20 0.35
ADRA2A P08913 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
TACR2 P21452 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
PTPN11 Q06124 1/20 0.35
PTPRO Q16827 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL8774468 0.96 FFAR1 (0.40) FFAR1HSD17B10TSHREGLN1EGLN3
SCHEMBL8774969 0.91 FFAR1 (0.42) FFAR1HSD17B10EGLN1EGLN3ALDH1A1
SCHEMBL8774374 0.88 FFAR1 (0.42) FFAR1HSD17B10TSHRHTR2AKCNH2
SCHEMBL8774302 0.87 HSD17B10 (0.43) FFAR1HSD17B10TSHRHTR2AKCNH2
SCHEMBL8774403 0.85 FFAR1 (0.38) FFAR1EGLN1EGLN3
SCHEMBL8774909 0.85 HSD17B10 (0.48) FFAR1HSD17B10TSHRHTR2ARARB
SCHEMBL8774821 0.84 FFAR1 (0.43) FFAR1HSD17B10TSHRHTR2ARARB
SCHEMBL8978919 0.82 HSD17B10 (0.47) FFAR1HSD17B10TSHRHTR2ARARB
SCHEMBL8979042 0.81 HSD17B10 (0.50) FFAR1HSD17B10TSHRHTR2ARARB
SCHEMBL8979120 0.81 HSD17B10 (0.50) FFAR1HSD17B10TSHRHTR2ARARB

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
EP-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed