SCHEMBL9870247

SCHEMBL9870247

O=C1C=C(C2CNc3ccccc32)CCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.38
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CCKBR P32239 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
IDO1 P14902 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL8061879 0.68 SIGMAR1 (0.39) MAPTKDM4E
SCHEMBL4001774 0.68 MEN1 (0.52) MAPTKDM4ELMNA
Hydrochloric Acid SCHEMBL11553849 0.66 MEN1 (0.50) MAPTGAAKDM4ELMNA
SCHEMBL8493961 0.65 MEN1 (0.42) NPC1MAPTPOLBGAAKDM4E
SCHEMBL8539384 0.65 HTR2C (0.47) MAPTGAAKDM4ELMNA
SCHEMBL11164098 0.64 TLR4 (0.53) TLR4NPC1MAPTKDM4E
Formamide SCHEMBL11551135 0.64 MEN1 (0.44) MAPTLMNA
SCHEMBL4905747 0.64 DDB1 (0.40) NPC1MAPTLMNASMN1; SMN2IDO1
SCHEMBL27582656 0.63 CHRNB4 (0.37) GAACCKBRKCNH2
SCHEMBL2639368 0.63 CCKBR (0.33) GAAKDM4ECCKBRSMN1; SMN2KCNH2

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
US-4997831-A Antagonists of 5-hydroxytryptamine receptors GLAXO GROUP LIMITED (GB) 1991-03-05 US disclosed