SCHEMBL6652553

SCHEMBL6652553

CCNC1CCN(CCCCOc2ccc(F)c(F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.48
KDM4E B2RXH2 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM1A O60341 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL6728975 0.99 HRH3 (0.47) HRH3KDM4ERECQLTDP1KDM1A
SCHEMBL6648923 0.88 HRH3 (0.46) HRH3KDM4ERECQLTDP1KDM1A
SCHEMBL6652158 0.88 HRH3 (0.51) HRH3KDM4ERECQLTDP1KDM1A
Hydrochloric Acid SCHEMBL6725728 0.87 HRH3 (0.46) HRH3KDM4ERECQLTDP1KDM1A
Hydrochloric Acid SCHEMBL6728490 0.87 HRH3 (0.50) HRH3KDM4ERECQLTDP1KDM1A
SCHEMBL7823916 0.84 HRH3 (0.55) HRH3KDM1ASIGMAR1
Hydrochloric Acid SCHEMBL6725941 0.83 HRH3 (0.54) HRH3KDM1ASIGMAR1
SCHEMBL7821188 0.81 HRH3 (0.53) HRH3KDM4ERECQLTDP1USP2
Hydrochloric Acid SCHEMBL8055682 0.80 HRH3 (0.52) HRH3KDM4ERECQLTDP1USP2
SCHEMBL7816469 0.77 HRH3 (0.57) HRH3SIGMAR1

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 3 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-1143971-A1 SUBSTITUTED 1-(PIPERIDIN-4-YL)-3-(ARYL)-ISOTHIOUREAS, THEIR PREPARATION AND THERAPEUTIC USE 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