SCHEMBL30720446

SCHEMBL30720446

FC(F)(F)c1ccc(N2CCC=N2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.44
TP53 P04637 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42
CYP3A4 P08684 3/20 0.39
HRH3 Q9Y5N1 1/20 0.36
PARP1 P09874 1/20 0.34
OPRL1 P41146 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
ACHE P22303 1/20 0.33
LCAT P04180 2/20 0.32
CHRM4 P08173 1/20 0.32
SLC6A9 P48067 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
DPP4 P27487 1/20 0.32
USP30 Q70CQ3 1/20 0.32

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
SCHEMBL24527435 0.76 ACHE (0.44) DHFRTP53CYP3A4HRH3ACHE
SCHEMBL11401374 0.74 TP53 (0.47) TP53ACHE
SCHEMBL1270114 0.73 DHFR (0.58) DHFRTRPV4CYP3A4HRH3PARP1
SCHEMBL24008587 0.71 DHFR (0.57) DHFRTRPV4CYP3A4HRH3PARP1
SCHEMBL31774414 0.69 CHRNB2 (0.58) DHFRCYP3A4
SCHEMBL382350 0.69 CHRNB2 (0.58) DHFRCYP3A4
SCHEMBL18979314 0.69 DHFR (0.45) DHFRTRPV4CYP3A4HRH3PARP1
SCHEMBL31164274 0.69 DHFR (0.42) DHFRTRPV4CYP3A4HRH3PARP1
SCHEMBL15132519 0.68 TP53 (0.55) TP53
Hydrochloric Acid SCHEMBL382186 0.68 CHRNB2 (0.57) DHFRCYP3A4

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-2024012496-A1 CANNABINOID RECEPTOR COMPOUND AND USE THEREOF 长春金赛药业有限责任公司 2024-01-18 WO disclosed