SCHEMBL29936171

SCHEMBL29936171

CCCCOC(=O)N1CC2CCC(C1)N2c1ccc(C#N)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 4/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ CHRM4 P08173 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ PANK3 Q9H999 5/20 0.41
▸ HRH2 P25021 2/20 0.41
▸ HRH1 P35367 2/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ HSD11B1 P28845 1/20 0.40
▸ TACR3 P29371 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PARP1 P09874 1/20 0.38

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
SCHEMBL21522470 0.81 RET (0.50) CHRM1CHRM2CHRM4CHRM3KCNH2
SCHEMBL31464957 0.81 RET (0.50) CHRM1CHRM2CHRM4CHRM3KCNH2
SCHEMBL27424684 0.81 RET (0.50) CHRM1CHRM2CHRM4CHRM3KCNH2
SCHEMBL27424943 0.81 RET (0.50) CHRM1CHRM2CHRM4CHRM3KCNH2
SCHEMBL23232002 0.80 CHRM1 (0.51) CHRM1CHRM2CHRM4CHRM3KCNH2
SCHEMBL12539812 0.79 CHRM1 (0.52) CHRM1CHRM2CHRM4CHRM3KCNH2
SCHEMBL23215018 0.77 CHRM1 (0.55) CHRM1CHRM2CHRM4CHRM3KCNH2
SCHEMBL23231394 0.77 CHRM1 (0.55) CHRM1CHRM2CHRM4CHRM3KCNH2
SCHEMBL23292267 0.76 CYP3A4 (0.55) HRH2HRH1HRH3HSD11B1
SCHEMBL23215090 0.75 CHRM1 (0.61) CHRM1CHRM2CHRM4CHRM3KCNH2

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-4322951-A1 CRYSTALLINE COMPOUND OF MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS Pipeline Therapeutics, Inc. (US) 2024-02-21 — — EP disclosed
WO-2022221450-A1 CRYSTALLINE COMPOUND OF MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS Pipeline Therapeutics, Inc. (US) 2022-10-20 — — WO disclosed
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