SCHEMBL8774920

SCHEMBL8774920

CCCCCc1ccc([C@H]2CC[C@H](CCc3cnc(Cl)c(Cl)c3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.49
SPHK2 Q9NRA0 7/20 0.44
CYP2C9 P11712 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
STAT3 P40763 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8774647 0.97 SPHK1 (0.44) SPHK1SPHK2CYP2C9MAPT
SCHEMBL8774636 0.97 SPHK1 (0.44) SPHK1SPHK2CYP2C9MAPT
SCHEMBL8774872 0.92 MAOA (0.38) SPHK1SPHK2CYP2C9MAPT
SCHEMBL8774879 0.92 MAOA (0.38) SPHK1SPHK2CYP2C9MAPT
SCHEMBL8774896 0.89 CYP2C9 (0.35) SPHK1CYP2C9MAPT
SCHEMBL8774886 0.89 CYP2C9 (0.35) SPHK1CYP2C9MAPT
SCHEMBL8774446 0.86 SPHK1 (0.56) SPHK1SPHK2MAPTRAB9ASMN1; SMN2
SCHEMBL8774457 0.86 SPHK1 (0.56) SPHK1SPHK2MAPTRAB9ASMN1; SMN2
SCHEMBL9153795 0.85 SPHK1 (0.52) SPHK1SPHK2CYP2C9MAPT
SCHEMBL9153790 0.85 SPHK1 (0.52) SPHK1SPHK2CYP2C9MAPT

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