SCHEMBL9766645

SCHEMBL9766645

CCCCCc1ccc(C#Cc2ccc(Cl)nc2)cc1.CCCCc1ccc(C#Cc2ccc(Cl)nc2)cc1.CCCc1ccc(C#Cc2ccc(Cl)nc2)cc1.CCc1ccc(C#Cc2ccc(Cl)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
EGLN1 Q9GZT9 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
ESR1 P03372 2/20 0.36

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
SCHEMBL9161075 0.92 FFAR1 (0.59) FFAR1CHRNB2CHRNA4HSD17B10TSHR
SCHEMBL9159057 0.91 FFAR1 (0.61) FFAR1CHRNB2CHRNA4HSD17B10TSHR
SCHEMBL9159025 0.88 FFAR1 (0.64) FFAR1CHRNB2CHRNA4MAPTRAB9A
SCHEMBL9766627 0.85 MAPT (0.43) HSD17B10TSHRMAPTRAB9AL3MBTL1
SCHEMBL9158538 0.85 FFAR1 (0.59) FFAR1CHRNB2CHRNA4MAPTRAB9A
SCHEMBL9766678 0.84 HSD17B10 (0.42) FFAR1HSD17B10TSHRMAPTRAB9A
SCHEMBL10519174 0.83 HSD17B10 (0.37) FFAR1HSD17B10TSHRMAPTRAB9A
SCHEMBL9874333 0.82 FFAR1 (0.39) FFAR1MAPTRAB9AL3MBTL1KDM4E
SCHEMBL8436035 0.80 HSD17B10 (0.56) FFAR1HSD17B10TSHRKDM4EALDH1A1
SCHEMBL9328227 0.80 HSD17B10 (0.56) FFAR1HSD17B10TSHRKDM4EALDH1A1

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
EP-0445248-A1 PYRIDINE DERIVATIVES. MERCK PATENT GMBH (DE) 1991-09-11 EP disclosed