SCHEMBL20936765

SCHEMBL20936765

Cc1cnn(C)c1-c1ccc(NC(=O)C2CC3CN(CCC(C)(C)C)C[C@H]3C2)nn1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.33
DYRK1A Q13627 10/20 0.33
WNT1 P04628 7/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CTSC P53634 1/20 0.32
PORCN Q9H237 1/20 0.32
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 2/20 0.30
ALPI P09923 1/20 0.30
ALPG P10696 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL23522846 1.00 GSK3B (0.33) GSK3BDYRK1AWNT1CHRM2CHRM4
SCHEMBL23545078 1.00 GSK3B (0.33) GSK3BDYRK1AWNT1CHRM2CHRM4
SCHEMBL20936902 1.00 GSK3B (0.33) GSK3BDYRK1AWNT1CHRM2CHRM4
SCHEMBL23522845 1.00 GSK3B (0.33) GSK3BDYRK1AWNT1CHRM2CHRM4
SCHEMBL29501533 1.00 GSK3B (0.33) GSK3BDYRK1AWNT1CHRM2CHRM4
SCHEMBL20919895 0.88 GSK3B (0.33) GSK3BDYRK1AWNT1CHRM2CHRM4
SCHEMBL20919947 0.85 CTSC (0.32) CTSCPORCNMEN1GLAKMT2A
SCHEMBL23523133 0.85 CHRM4 (0.41) CHRM2CHRM4
SCHEMBL23523131 0.85 CHRM4 (0.41) CHRM2CHRM4
SCHEMBL23523134 0.85 CHRM4 (0.41) CHRM2CHRM4

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 5 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
WO-2021216949-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2021-10-28 WO disclosed
WO-2021216951-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2021-10-28 WO disclosed
WO-2019079783-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2019-04-25 WO disclosed