SCHEMBL23232002

SCHEMBL23232002

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.51
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM3 P20309 1/20 0.51
KCNH2 Q12809 1/20 0.51
IRAK4 Q9NWZ3 3/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PANK3 Q9H999 7/20 0.43
PARP1 P09874 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
SPR P35270 1/20 0.40
DPP4 P27487 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL12539812 0.88 CHRM1 (0.52) CHRM1CHRM2CHRM4CHRM3KCNH2
SCHEMBL23215016 0.84 CHRM1 (0.49) CHRM1CHRM2CHRM4CHRM3KCNH2
SCHEMBL23231394 0.84 CHRM1 (0.55) CHRM1CHRM2CHRM4CHRM3KCNH2
SCHEMBL23215018 0.84 CHRM1 (0.55) CHRM1CHRM2CHRM4CHRM3KCNH2
SCHEMBL31464957 0.83 RET (0.50) CHRM1CHRM2CHRM4CHRM3KCNH2
SCHEMBL21522470 0.83 RET (0.50) CHRM1CHRM2CHRM4CHRM3KCNH2
SCHEMBL27424684 0.83 RET (0.50) CHRM1CHRM2CHRM4CHRM3KCNH2
SCHEMBL27424943 0.83 RET (0.50) CHRM1CHRM2CHRM4CHRM3KCNH2
SCHEMBL30859934 0.83 CHRM1 (0.56) CHRM1CHRM2CHRM4CHRM3KCNH2
SCHEMBL23215090 0.82 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021071843-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS Pipeline Therapeutics, Inc. (US) 2021-04-15 WO disclosed