SCHEMBL25239012

SCHEMBL25239012

CC1CCCN(C)C1(C)C.NC(=O)c1ccon1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
CHRNA4 P43681 3/20 0.34
OPRM1 P35372 8/20 0.32
GRM2 Q14416 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PARP1 P09874 1/20 0.31
GSK3B P49841 1/20 0.31
DGAT1 O75907 1/20 0.30
IDH1 O75874 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA7 P36544 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
Benzamide SCHEMBL28486204 0.76 POLB (0.44) CHRNA4OPRM1PARP1CHRNB2CHRNA7
Carbamic Acid SCHEMBL28886943 0.74 HPGD (0.31)
SCHEMBL325207 0.72
Hydrogen Peroxide SCHEMBL29110073 0.70 ALDH1A1 (0.33)
Hydrochloric Acid SCHEMBL28160818 0.70 CHRNA4 (0.41) CHRNA4RAB9APARP1
Hydrochloric Acid SCHEMBL28160817 0.70
SCHEMBL125978 0.70 KDM4E (0.31)
Benzoic Acid SCHEMBL28616712 0.70 HRH3 (0.44) CHRNA4CHRNB2CHRNA7
Hypochlorous Acid SCHEMBL18191767 0.69 HPGD (0.35)
Hno SCHEMBL17556394 0.68

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
WO-2023096304-A1 ISOXAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND USE THEREOF 한양대학교 에리카산학협력단 2023-06-01 WO disclosed