SCHEMBL4676983

SCHEMBL4676983

O=C(Nc1cccc(C(F)(F)F)c1)N(CCC(c1ccccc1)c1ccccc1)C1CCN(c2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.63
DCUN1D1 Q96GG9 18/20 0.61
UBE2M P61081 15/20 0.61
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL5126613 0.90 DCUN1D1 (0.62) CASRDCUN1D1UBE2M
SCHEMBL549026 0.88 DCUN1D1 (0.64) CASRDCUN1D1UBE2M
SCHEMBL549106 0.88 DCUN1D1 (0.60) CASRDCUN1D1UBE2M
SCHEMBL548234 0.86 DCUN1D1 (0.72) CASRDCUN1D1UBE2MPOLB
SCHEMBL548245 0.84 DCUN1D1 (0.58) CASRDCUN1D1UBE2M
SCHEMBL10108279 0.82 DCUN1D1 (0.56) CASRDCUN1D1UBE2MMAPT
SCHEMBL548246 0.82 DCUN1D1 (0.55) CASRDCUN1D1UBE2M
SCHEMBL3590485 0.80 HCRTR1 (0.55) CASRDCUN1D1UBE2MPOLBMAPT
SCHEMBL927091 0.77 CASR (1.00) CASR
SCHEMBL18640247 0.76 DCUN1D1 (1.00) DCUN1D1UBE2M

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-1286966-B1 4-AMINOPIPERIDINE DERIVATIVES AND THEIR USE AS MEDICINE SOD CONSEILS RECH APPLIC (FR) 2008-07-16 EP disclosed