SCHEMBL2820740

SCHEMBL2820740

O=C([C@@H]1C[C@H](NCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CN1Cc1cccc(Cl)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.46
POLB P06746 3/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 3/20 0.44
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
SLC2A1 P11166 1/20 0.41
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL2817332 0.94 CHRM4 (0.53) CHRM4POLBLMNAMAPTHTT
SCHEMBL2818101 0.86 CHRM4 (0.52) CHRM4POLBLMNAMAPTHTT
SCHEMBL3638063 0.86 CHRM4 (0.52) CHRM4POLBLMNAMAPTHTT
SCHEMBL2817840 0.82 POLB (0.44) CHRM4POLBLMNAMAPTHTT
SCHEMBL2819008 0.79 CHRM4 (0.48) CHRM4DRD2DRD3
SCHEMBL2818348 0.79 CHRM4 (0.44) CHRM4POLBLMNAMAPTHTT
SCHEMBL2818426 0.78 CHRM4 (0.49) CHRM4POLBLMNAMAPTHTT
SCHEMBL2817087 0.78 CHRM4 (0.49) CHRM4POLBLMNAMAPTHTT
SCHEMBL3979720 0.77 NPBWR1 (0.42) POLBLMNAMAPTHTTNPBWR1
SCHEMBL2820467 0.76 LMNA (0.49) CHRM4POLBLMNAMAPTHTT

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-2155672-B1 PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-10-27 EP claimed