SCHEMBL27364707

SCHEMBL27364707

CCOCCOCCOCCOCCOCCOC1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.40
▸ SLC6A2 P23975 4/20 0.33
▸ SLC6A4 P31645 4/20 0.33
▸ SLC6A3 Q01959 3/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ HTR4 Q13639 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP2D6 P10635 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
SCHEMBL1317639 0.98 EPHX2 (0.38) EPHX2SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL11164681 0.88 SLC6A2 (0.33) EPHX2SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL27888454 0.87 EPHX2 (0.46) EPHX2ALDH1A1
SCHEMBL2555634 0.86 CHRM1 (0.41) EPHX2SLC6A2SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL3011881 0.85 CHRM1 (0.40) EPHX2SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL15362827 0.84 SLC6A4 (0.33) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL17309305 0.84 SLC6A4 (0.33) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL27389747 0.84 SLC6A4 (0.33) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
Hydrochloric Acid SCHEMBL3011878 0.83 CHRM1 (0.42) EPHX2SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL20133241 0.83 EPHX2 (0.33) EPHX2

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-2024054956-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 — — WO disclosed
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