SCHEMBL23739825

SCHEMBL23739825

O=CCCC(C=O)N1Cc2c(CCCOc3ccnc4ccccc34)cccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ HTR1D P28221 1/20 0.30
▸ HTR1B P28222 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
SCHEMBL23740007 0.91 MAPT (0.34) HTR1ASLC6A4
SCHEMBL23739830 0.85 IDO1 (0.36) —
SCHEMBL23739943 0.83 HTR1A (0.31) HTR1ASLC6A4
SCHEMBL23739523 0.83 IDO1 (0.36) —
SCHEMBL23739619 0.82 IDO1 (0.36) —
SCHEMBL23739919 0.82 IDO1 (0.36) —
SCHEMBL23739743 0.77 HTR2A (0.33) —
SCHEMBL23739922 0.77 ACKR3 (0.37) —
SCHEMBL23739656 0.76 IDO1 (0.38) —
SCHEMBL23739734 0.75 NR1H2 (0.32) —

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-3862348-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-08-11 — — EP disclosed
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