SCHEMBL4076033

SCHEMBL4076033

C[C@@H](NCCC1CCN(c2cccc(C(=O)O)n2)CC1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASR P41180 19/20 0.45
TTR P02766 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
SCHEMBL1095573 0.92 CASR (0.46) CASR
Hydrochloric Acid SCHEMBL1096079 0.91 CASR (0.47) CASR
SCHEMBL1095964 0.85 CASR (0.43) CASRTTR
SCHEMBL4076029 0.82 CASR (0.47) CASRTTR
SCHEMBL1095909 0.81 CASR (0.44) CASRTTR
SCHEMBL4079728 0.81 CASR (0.44) CASRTTR
SCHEMBL1105849 0.78 CASR (0.49) CASR
SCHEMBL1105995 0.78 CASR (0.45) CASR
SCHEMBL1095449 0.78 TTR (0.40) CASRTTR
SCHEMBL1097513 0.78 CASR (0.45) CASR

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-2085383-A1 PIPERIDINE DERIVATIVES OR SALTS THEREOF Astellas Pharma Inc. (JP) 2009-08-05 EP claimed