SCHEMBL8685446

SCHEMBL8685446

FC(F)(F)c1ccc(OCCCn2ccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 1.00
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
POLB P06746 1/20 0.75
ATP4A P20648 1/20 0.69
ATP4B P51164 1/20 0.69
QPCT Q16769 1/20 0.68
HMOX1 P09601 1/20 0.67
ATM Q13315 1/20 0.66
KDM4E B2RXH2 1/20 0.62
LMNA P02545 1/20 0.62
TBXAS1 P24557 1/20 0.61

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
SCHEMBL8686274 0.93 NOS1 (1.00) NOS1MEN1KMT2APOLBATP4A
Hydrochloric Acid SCHEMBL2529362 0.86 MEN1 (0.85) NOS1MEN1KMT2APOLBQPCT
SCHEMBL16417749 0.86 MEN1 (1.00) NOS1MEN1KMT2APOLBQPCT
SCHEMBL8684902 0.84 QPCT (0.73) NOS1MEN1KMT2APOLBQPCT
SCHEMBL24083739 0.81 MEN1 (0.76) NOS1MEN1KMT2APOLBQPCT
SCHEMBL6302835 0.81 QPCT (0.73) NOS1MEN1KMT2APOLBQPCT
SCHEMBL18837209 0.81 QPCT (0.73) NOS1MEN1KMT2APOLBQPCT
SCHEMBL10457427 0.81 QPCT (0.73) NOS1MEN1KMT2APOLBQPCT
SCHEMBL12834989 0.81 QPCT (1.00) NOS1MEN1KMT2APOLBQPCT
SCHEMBL7877092 0.81 NOS1 (0.67) NOS1MEN1KMT2APOLBATP4A

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
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US claimed
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US disclosed