SCHEMBL6652166

SCHEMBL6652166

CNC1CCN(CCCOCCc2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
SLC6A2 P23975 4/20 0.47
SLC6A3 Q01959 3/20 0.47
SLC6A4 P31645 2/20 0.47
HRH1 P35367 3/20 0.46
CACNA1C Q13936 2/20 0.46
HTR2C P28335 2/20 0.46
HTR7 P34969 2/20 0.46
CACNA1F O60840 1/20 0.46
HTR1A P08908 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
DRD2 P14416 1/20 0.46
CNR1 P21554 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
HRH2 P25021 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR1B P28222 1/20 0.46

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 SCHEMBL6725030 0.99 CARM1 (0.48) CARM1PRMT6SLC6A2SLC6A3SLC6A4
SCHEMBL27763800 0.85 HTR2A (0.56) CARM1PRMT6HTR2CHTR7HTR2A
Hydrochloric Acid SCHEMBL6725034 0.84 CARM1 (0.53) CARM1PRMT6SLC6A3SLC6A4HTR7
Hydrochloric Acid SCHEMBL29280917 0.84 HTR2A (0.55) CARM1PRMT6HTR2CHTR7HTR2A
SCHEMBL7228646 0.83 SPHK1 (0.50) SLC6A2SLC6A3SLC6A4HRH1CACNA1C
SCHEMBL7819491 0.83 HRH3 (0.62) HRH1HTR1ADRD2DRD1DRD5
Hydrochloric Acid SCHEMBL8042992 0.82 HRH3 (0.60) HRH1HTR1ADRD2DRD1DRD5
SCHEMBL6654821 0.79 USP2 (0.66) HRH1HTR1ADRD2DRD1DRD5
SCHEMBL7725316 0.78 HTR2A (0.51) CARM1PRMT6HTR2CHTR7HTR2A
SCHEMBL7724043 0.78 HTR2A (0.51) CARM1PRMT6HTR2CHTR7HTR2A

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 6 patents. 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
EP-1144408-B1 SUBSTITUTED 1-(PIERIDIN-4-YL)-3-(ARYL) ISOTHIOUREAS THEIR PREPARATION AND THERAPEUTIC APPLICATION PF MEDICAMENT (FR) 2002-09-25 EP disclosed
EP-1143971-A1 SUBSTITUTED 1-(PIPERIDIN-4-YL)-3-(ARYL)-ISOTHIOUREAS, THEIR PREPARATION AND THERAPEUTIC USE PIERRE FABRE MEDICAMENT (FR) 2001-10-17 EP disclosed
EP-1144408-A1 SUBSTITUTED 1-(PIERIDIN-4-YL)-3-(ARYL) ISOTHIOUREAS THEIR PREPARATION AND THERAPEUTIC APPLICATION PIERRE FABRE MEDICAMENT (FR) 2001-10-17 EP disclosed
WO-2000043011-A1 SUBSTITUTED 1-(PIPERIDIN-4-YL)-3-(ARYL)-ISOTHIOUREAS, THEIR PREPARATION AND THERAPEUTIC USE PIERRE FABRE MEDICAMENT (FR) 2000-07-27 WO disclosed
WO-2000043391-A1 SUBSTITUTED 1-(PIERIDIN-4-YL)-3-(ARYL) ISOTHIOUREAS THEIR PREPARATION AND THERAPEUTIC APPLICATION PIERRE FABRE MEDICAMENT (FR) 2000-07-27 WO disclosed