SCHEMBL8774791

SCHEMBL8774791

CCCCCc1ccc(C2CCC(C#Cc3cnc(Cl)c(Cl)c3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.46
SPHK2 Q9NRA0 7/20 0.42
FFAR1 O14842 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA2 Q15822 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8774780 1.00 SPHK1 (0.46) SPHK1SPHK2FFAR1CHRNB2CHRNA2
SCHEMBL8774503 0.97 SPHK1 (0.42) SPHK1SPHK2FFAR1CHRNB2CHRNA2
SCHEMBL8774495 0.97 SPHK1 (0.42) SPHK1SPHK2FFAR1CHRNB2CHRNA2
SCHEMBL8774441 0.93 SPHK1 (0.36) SPHK1SPHK2FFAR1CHRNB2CHRNA2
SCHEMBL8774450 0.93 SPHK1 (0.36) SPHK1SPHK2FFAR1CHRNB2CHRNA2
SCHEMBL8774742 0.88 CHRNB2 (0.36) FFAR1CHRNB2CHRNA2CHRNB4CHRNA3
SCHEMBL8774736 0.88 CHRNB2 (0.36) FFAR1CHRNB2CHRNA2CHRNB4CHRNA3
SCHEMBL9156841 0.85 SPHK1 (0.48) SPHK1SPHK2FFAR1CHRNB2CHRNA4
SCHEMBL9156849 0.85 SPHK1 (0.48) SPHK1SPHK2FFAR1CHRNB2CHRNA4
SCHEMBL8774457 0.83 SPHK1 (0.56) SPHK1SPHK2MAPTRAB9A

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