SCHEMBL30470871

SCHEMBL30470871

CN1CCC[C@H]1COc1ccccc1C1CCCN(C(=O)O)C1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 3/20 0.57
CHRNA3 P32297 3/20 0.57
CHRNB2 P17787 2/20 0.52
CHRNA4 P43681 2/20 0.52
CHRNA5 P30532 1/20 0.52
CHRNA7 P36544 1/20 0.52
CHRNB1 P11230 1/20 0.51
CHRNB3 Q05901 1/20 0.51
PROKR1 Q8TCW9 1/20 0.47

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
SCHEMBL31690794 0.80 PROKR1 (0.51) PROKR1
SCHEMBL26729833 0.78 CHRNB4 (0.65) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA5
SCHEMBL30469804 0.78 CHRNB4 (0.58) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL32688969 0.78 RBP4 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4PROKR1
SCHEMBL31578358 0.77 CHRNB4 (0.52) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA5
SCHEMBL19205428 0.76 RBP4 (0.57) PROKR1
SCHEMBL19205395 0.76 RBP4 (0.59) PROKR1
SCHEMBL19205350 0.76 RBP4 (0.59) PROKR1
SCHEMBL26209110 0.76 CHRNB4 (0.62) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA5
SCHEMBL19205310 0.75 RBP4 (0.60) PROKR1

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
EP-4188920-A1 PIPERIDIN-1-YL-N-PYRYDINE-3-YL-2-OXOACETAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF MTAP-DEFICIENT AND/OR MTA-ACCUMULATING CANCERS Tango Therapeutics, Inc. (US) 2023-06-07 EP disclosed