SCHEMBL22248550

SCHEMBL22248550

C[C@@H]1CN(C(=O)[C@@H](C)CO)CCN1C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 2/20 0.51
▸ ADAMTS5 Q9UNA0 12/20 0.36
▸ ADAM17 P78536 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MMP2 P08253 6/20 0.34
▸ MMP14 P50281 3/20 0.33
▸ MMP13 P45452 2/20 0.33

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
SCHEMBL23187987 0.82 CHRM1 (0.52) CHRM1
SCHEMBL22248566 0.78 CHRM1 (0.47) CHRM1
SCHEMBL17625631 0.72 CYP1A2 (0.48) CHRM1
SCHEMBL20434091 0.72 CYP1A2 (0.48) CHRM1
SCHEMBL15431899 0.72 CYP1A2 (0.48) CHRM1
SCHEMBL2379763 0.72 CHRM1 (0.49) CHRM1HSD17B10
SCHEMBL2908533 0.72 CHRM1 (0.49) CHRM1HSD17B10
SCHEMBL2901294 0.72 CHRM1 (0.49) CHRM1HSD17B10
SCHEMBL13026688 0.72 CHRM1 (0.46) CHRM1
SCHEMBL24127263 0.72 CHRM1 (0.42) CHRM1HSD17B10

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-2020150372-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 — — WO disclosed
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