SCHEMBL23933677

SCHEMBL23933677

O=C(O)N1CC2CC(COc3ccc(Cl)nn3)C[C@@H]2C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
ATXN2 Q99700 1/20 0.35
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
ACACB O00763 1/20 0.33
RBP4 P02753 1/20 0.32
ERBB2 P04626 1/20 0.32
EPHA2 P29317 1/20 0.32
KDR P35968 1/20 0.32
EPHB4 P54760 1/20 0.32
FAAH O00519 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL23523234 1.00 CHRNB2 (0.46) CHRNB2CHRNA4ATXN2LMNAHTT
SCHEMBL20936874 0.84 NR1H2 (0.52) CHRNB2CHRNA4LMNAKMT2A
SCHEMBL23545096 0.84 NR1H2 (0.52) CHRNB2CHRNA4LMNAKMT2A
SCHEMBL24608255 0.84 NR1H2 (0.52) CHRNB2CHRNA4LMNAKMT2A
SCHEMBL4979209 0.82 CHRNB2 (0.42) CHRNB2CHRNA4LMNAHTTMEN1
SCHEMBL23523231 0.81 LMNA (0.35) CHRNB2CHRNA4LMNAHTTFAAH
SCHEMBL23523228 0.81 LMNA (0.35) CHRNB2CHRNA4LMNAHTTFAAH
SCHEMBL23523229 0.81 LMNA (0.35) CHRNB2CHRNA4LMNAHTTFAAH
SCHEMBL22609209 0.79 CHRNB2 (0.40) CHRNB2CHRNA4LMNAHTTMEN1
SCHEMBL20919479 0.77 CHRNB2 (0.39) CHRNB2CHRNA4LMNAHTTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139303-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2023-03-01 EP disclosed
WO-2021216951-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2021-10-28 WO disclosed