SCHEMBL6652980

SCHEMBL6652980

CNC1CCN(CCCCOc2ccc(Cl)cc2OC)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
HRH3 Q9Y5N1 5/20 0.47

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 SCHEMBL6729089 0.99 KDM4E (0.52) KDM4ESMN1; SMN2LMNAKMT2AMEN1
SCHEMBL6651402 0.80 LMNA (0.52) KDM4ESMN1; SMN2LMNAKMT2AMEN1
SCHEMBL4096057 0.79 EGFR (0.53) KDM4ESMN1; SMN2LMNAKMT2AMEN1
SCHEMBL19692566 0.76 SIGMAR1 (0.72) HRH3
SCHEMBL7787081 0.76 KMT2A (0.63) KDM4ELMNAKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL6721658 0.75 KMT2A (0.62) KDM4ELMNAKMT2AMEN1ALDH1A1
SCHEMBL6728460 0.75 BCHE (0.49) KDM4ESMN1; SMN2
SCHEMBL24163546 0.73 KDM4E (0.70) KDM4ELMNAKMT2AMEN1ALDH1A1
SCHEMBL6652158 0.72 HRH3 (0.51) KDM4EALDH1A1HRH3
Hydrochloric Acid SCHEMBL6728490 0.71 HRH3 (0.50) KDM4EALDH1A1HRH3

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