SCHEMBL6653536

SCHEMBL6653536

CN(CCCCOc1ccc(F)c(F)c1)C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 5/20 0.53
HRH3 Q9Y5N1 1/20 0.42
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
HTR6 P50406 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL7823918 0.96 LSS (0.48) LSSHRH3NOS3NOS1NOS2
SCHEMBL23074668 0.79 LSS (0.46) LSSTDP1
SCHEMBL15114960 0.78 GPR119 (0.46) LSSHRH3SLC6A2SLC6A4SLC6A3
SCHEMBL15114937 0.78 LSS (0.53) LSS
SCHEMBL15114875 0.76 LSS (0.41) LSSHRH3SLC6A2SLC6A4SLC6A3
SCHEMBL23640419 0.75 HRH3 (0.42) LSSHRH3NOS3NOS1NOS2
SCHEMBL12460718 0.75 HRH3 (0.48) LSSHRH3NOS3NOS1NOS2
SCHEMBL4325830 0.74 ITGB3 (0.46) TDP1SLC6A2SLC6A4SLC6A3
SCHEMBL6652163 0.73 GNAI3 (0.44) KDM4ESMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL4147694 0.73 ITGB3 (0.45) TDP1SLC6A2SLC6A4SLC6A3

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-1143971-B1 SUBSTITUTED 1-(PIPERIDIN-4-YL)-3-(ARYL)-ISOTHIOUREAS, THEIR PREPARATION AND THERAPEUTIC USE PF MEDICAMENT (FR) 2004-06-02 EP disclosed