SCHEMBL23739516

SCHEMBL23739516

CNC(=O)C(CCC=O)N1Cc2c(CCCCCN3CCC(C#N)(c4ccc(OCCOC)cc4)CC3)cccc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 16/20 0.36
▸ ADRA1D P25100 14/20 0.36
▸ ADRA1B P35368 13/20 0.36
▸ OPRM1 P35372 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL23739827 0.91 ADRA1A (0.38) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL23739867 0.90 ADRA1D (0.39) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL23739976 0.88 ADRA1D (0.35) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL23739630 0.88 PDE4B (0.43) ADRA1AADRA1DADRA1B
SCHEMBL23739826 0.88 ADRA1D (0.37) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL23739757 0.86 ADRA1D (0.36) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL23740086 0.86 ADRA1D (0.37) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL23739797 0.86 OPRM1 (0.37) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL23739993 0.85 ADRA1A (0.37) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL23739514 0.85 ADRA1A (0.36) ADRA1AADRA1DADRA1BOPRM1

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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