SCHEMBL25860237

SCHEMBL25860237

CC(C)n1c[n+](C(C)C)c2cc(OCCCCN)ccc21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ ITGB3 P05106 4/20 0.32
▸ ITGA2B P08514 4/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ FGFR1 P11362 1/20 0.31

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
SCHEMBL17916653 0.88 LTA4H (0.40) HTR1BFGFR1
Iodide SCHEMBL16516285 0.86 LTA4H (0.39) HTR1BFGFR1
Iodide SCHEMBL30731322 0.86 LTA4H (0.39) HTR1BFGFR1
Iodide SCHEMBL18824159 0.85 FGFR1 (0.38) SIGMAR1ADRB2FGFR1
SCHEMBL23366511 0.82 ADRB2 (0.33) ADRB2
Iodide SCHEMBL21046358 0.82 CASR (0.35) —
SCHEMBL21046373 0.82 HTT (0.36) —
Iodide SCHEMBL22366566 0.82 ADRB2 (0.33) ADRB2
Bicarbonate SCHEMBL21046372 0.81 FGFR1 (0.35) HRH3FGFR1
Bicarbonate SCHEMBL17911341 0.81 TP53 (0.39) —

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
EP-3865477-B1 CARBENE COMPOUND, CARBENE-METAL NANOPARTICLE COMPLEX AND PREPARATION METHOD THEREOF KOREA RES INST BIOSCIENCE & BIOTECHNOLOGY (KR) 2023-07-12 — — EP disclosed
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