SCHEMBL4789046

SCHEMBL4789046

C#CCO[C@H]1CN(C(=O)O)[C@](C(=O)O)(C(C)(C)C)C1C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 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
SCHEMBL4725934 1.00 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27138389 0.69 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1975656 0.64
SCHEMBL14714686 0.62 HSD11B1 (0.30)
SCHEMBL30950235 0.61
SCHEMBL29037050 0.61
SCHEMBL16174824 0.60 CHRM2 (0.30) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16174748 0.60 CHRM2 (0.30) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3310033 0.59 NR1H2 (0.34)
SCHEMBL26923988 0.59 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3

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
WO-2008022961-A1 N-HETEROCYCLES SUPPORTED ON POLYMERS THROUGH TRIAZOLE OR TETRAZOLE LINKERS FOR ORGANOCATALYTIC APPLICATIONS INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) 2008-02-28 WO disclosed
EP-1892042-A1 Proline derivatives supported on polymers through triazole or tetrazole linkers for organocatalytic applications Institut Catala D'Investigacio Quimica (ES) 2008-02-27 EP disclosed