SCHEMBL7500254

SCHEMBL7500254

COC(=O)C(N)C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.55
CHRNG P07510 1/20 0.55
CHRNB1 P11230 1/20 0.55
CHRNB2 P17787 1/20 0.55
SLC6A2 P23975 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
CHRNA4 P43681 1/20 0.55
SLC6A3 Q01959 1/20 0.55
CHRND Q07001 1/20 0.55
CES2 O00748 2/20 0.49
CES1 P23141 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
DPP4 P27487 3/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 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
Hydrochloric Acid SCHEMBL7500244 0.98 CHRNA1 (0.54) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL14691129 0.81 NPC1 (0.44) CES2CES1SMN1; SMN2GAAMEN1
SCHEMBL9219903 0.81 CHRNA1 (0.55) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
Hydrochloric Acid SCHEMBL14691126 0.80 NPC1 (0.42) CES2CES1SMN1; SMN2GAAMEN1
SCHEMBL3741183 0.77 HPGD (0.48) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
Hydrochloric Acid SCHEMBL3741179 0.76 KMO (0.47) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL19763136 0.75 CA1 (0.53) CES2CES1SMN1; SMN2RAB9ALMNA
SCHEMBL14401989 0.74 KMT2A (0.51) CES2CES1GAAKMT2ALMNA
SCHEMBL5936619 0.74 KMT2A (0.51) CES2CES1GAAKMT2ALMNA
SCHEMBL8130880 0.74 MAPK8 (0.41) GAADPP4ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140906-A4 IMIDAZOLONES AND THEIR USE IN TREATING BENIGN PROSTATIC HYPERPLASIA AND OTHER DISORDERS SYNAPTIC PHARMA CORP (US) 2002-03-13 EP disclosed
EP-1140906-A1 IMIDAZOLONES AND THEIR USE IN TREATING BENIGN PROSTATIC HYPERPLASIA AND OTHER DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2001-10-10 EP disclosed
WO-2000035907-A1 IMIDAZOLONES AND THEIR USE IN TREATING BENIGN PROSTATIC HYPERPLASIA AND OTHER DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-06-22 WO disclosed
US-6046331-A Imidazolones and their use in treating benign prostatic hyperplasia and other disorders SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-04-04 US disclosed