SCHEMBL13749040

SCHEMBL13749040

C[C@@H](NCC1CCN(C(=O)C[C@@H](C(=O)N=O)C2CCCCC2)CC1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.41
CASR P41180 11/20 0.40
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
CCR5 P51681 2/20 0.37

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
SCHEMBL1105887 0.92 CYP2D6 (0.43) CYP2D6CASRMETAP2METAP1
SCHEMBL1106014 0.86 CYP2D6 (0.43) CYP2D6CASRMETAP2METAP1
SCHEMBL13748850 0.85 CASR (0.40) CYP2D6CASRCCR5
SCHEMBL1106023 0.83 CASR (0.44) CYP2D6CASR
SCHEMBL1105867 0.83 CASR (0.47) CYP2D6CASR
SCHEMBL13748632 0.83 CASR (0.42) CYP2D6CASRCCR5
SCHEMBL1106019 0.81 CASR (0.46) CYP2D6CASR
SCHEMBL1106028 0.80 CASR (0.47) CYP2D6CASR
SCHEMBL1105891 0.80 CASR (0.44) CYP2D6CASR
SCHEMBL1105859 0.80 CASR (0.44) CYP2D6CASR

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 disclosed