SCHEMBL4867148

SCHEMBL4867148

CCN(C(=O)[C@H](C)NC(=O)N1CCCCc2ccccc21)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
AVPR2 P30518 3/20 0.48
AVPR1A P37288 2/20 0.45
OXTR P30559 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL4867654 1.00 POLB (0.48) POLBLMNAMAPTAVPR2AVPR1A
SCHEMBL4869484 0.86 FPR1 (0.47) POLBLMNAMAPTAVPR2AVPR1A
SCHEMBL4866912 0.83 AVPR2 (0.56) POLBLMNAMAPTAVPR2AVPR1A
SCHEMBL4863306 0.83 THRB (0.42) POLBLMNAMAPTAVPR2THRB
SCHEMBL4870861 0.82 AVPR2 (0.49) POLBLMNAMAPTAVPR2AVPR1A
SCHEMBL4863033 0.81 AVPR2 (0.48) POLBLMNAMAPTAVPR2AVPR1A
SCHEMBL4867095 0.78 THRB (0.53) POLBLMNAMAPTTHRBKMT2A
SCHEMBL4868697 0.77 KCNQ2 (0.40) POLBLMNAMAPTTHRBKMT2A
SCHEMBL4870765 0.77 AVPR2 (0.54) POLBLMNAMAPTAVPR2AVPR1A
SCHEMBL4868227 0.76 POLB (0.60) POLBLMNAMAPTAVPR2AVPR1A

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
US-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US claimed