SCHEMBL11628293

SCHEMBL11628293

CCCCCCC(O)(CC(C)C)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
KCNA5 P22460 7/20 0.46
KCNH2 Q12809 3/20 0.46
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 2/20 0.36
CYP3A5 P20815 2/20 0.36
CYP19A1 P11511 1/20 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
SCHEMBL11630638 1.00 CNR1 (0.48) CNR1CNR2KCNA5KCNH2TDP1
SCHEMBL11698140 0.89 CNR1 (0.54) CNR1CNR2KCNA5KCNH2TDP1
SCHEMBL11698244 0.89 CNR1 (0.54) CNR1CNR2KCNA5KCNH2TDP1
SCHEMBL11696371 0.89 CNR1 (0.54) CNR1CNR2KCNA5KCNH2TDP1
Hydrochloric Acid SCHEMBL11700484 0.87 CNR1 (0.53) CNR1CNR2KCNA5KCNH2TDP1
Hydrochloric Acid SCHEMBL11701984 0.87 CNR1 (0.53) CNR1CNR2KCNA5KCNH2TDP1
Bromide SCHEMBL11699271 0.87 CNR1 (0.53) CNR1CNR2KCNA5KCNH2TDP1
Hydrochloric Acid SCHEMBL11698793 0.87 CNR1 (0.53) CNR1CNR2KCNA5KCNH2TDP1
SCHEMBL11629499 0.87 CNR1 (0.52) CNR1CNR2KCNA5KCNH2TDP1
SCHEMBL11628019 0.84 KCNA5 (0.47) KCNA5KCNH2TDP1LMNACYP3A4

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-4116665-A Method of regulating the growth of aquatic weeds with pyridine derivatives ELI LILLY AND COMPANY (US) 1978-09-26 US claimed
US-4116665-A Method of regulating the growth of aquatic weeds with pyridine derivatives ELI LILLY AND COMPANY (US) 1978-09-26 US disclosed