SCHEMBL9030951

SCHEMBL9030951

CC(=O)c1cc(N)ccc1NC(=O)CN1CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)C(C(N)=O)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.61
KCNH2 Q12809 8/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SLC6A3 Q01959 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
HTR2A P28223 2/20 0.44
ADRA1A P35348 2/20 0.44
HRH1 P35367 2/20 0.44
DRD3 P35462 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
MLNR O43193 1/20 0.44
NR1I2 O75469 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PGR P06401 1/20 0.44

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
SCHEMBL9036571 0.89 SLC29A1 (0.54) SLC29A1KCNH2MEN1KMT2ASLC6A3
SCHEMBL9031407 0.86 SLC29A1 (0.56) SLC29A1KCNH2MEN1KMT2ASLC6A3
Hydrochloric Acid SCHEMBL10551361 0.85 SLC29A1 (0.61) SLC29A1KCNH2MEN1KMT2ASLC6A3
SCHEMBL9808176 0.82 SLC29A1 (0.64) SLC29A1KCNH2MEN1KMT2ASLC6A3
SCHEMBL10460559 0.82 SLC29A1 (0.73) SLC29A1KCNH2MEN1KMT2ASLC6A3
Water SCHEMBL10684017 0.82 SLC29A1 (0.61) SLC29A1KCNH2MEN1KMT2ASLC6A3
Hydrochloric Acid SCHEMBL9808242 0.82 SLC29A1 (0.86) SLC29A1KCNH2MEN1KMT2ASLC6A3
SCHEMBL10683605 0.81 SLC29A1 (0.68) SLC29A1KCNH2MEN1KMT2ASLC6A3
Hydrochloric Acid SCHEMBL7801696 0.81 SLC29A1 (0.72) SLC29A1KCNH2MEN1KMT2ASLC6A3
SCHEMBL10683035 0.80 MEN1 (0.51) SLC29A1KCNH2MEN1KMT2ASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0727421-A1 Agents for improving sleep JANSSEN PHARMACEUTICA N.V. (BE) 1996-08-21 EP disclosed
US-5026853-A Sleep and cardiovascular disorders JANSSEN PHARMACEUTICA N.V. (BE) 1991-06-25 US disclosed
US-4968684-A N-ARYL-PIPERAZINEALKANAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1990-11-06 US disclosed
US-4880808-A SEDATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1989-11-14 US disclosed
EP-0285219-A2 Method of improving sleep JANSSEN PHARMACEUTICA N.V. (BE) 1988-10-05 EP disclosed