SCHEMBL7239389

SCHEMBL7239389

ClCCCOCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
IDO1 P14902 1/20 0.45
HRH3 Q9Y5N1 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
DRD2 P14416 2/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
KCNH2 Q12809 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7388573 0.92 TDP1 (0.45) MEN1KMT2AIDO1HRH3NPC1
SCHEMBL3886046 0.87 CA1 (0.44) MEN1KMT2AIDO1HRH3NPC1
SCHEMBL4884524 0.87 LTA4H (0.58)
SCHEMBL28130088 0.85 IDO1 (0.61) MEN1KMT2AIDO1HRH3DRD2
SCHEMBL198134 0.84 TSHR (0.52) MEN1KMT2AIDO1HRH3NPC1
SCHEMBL7429112 0.83 IDO1 (0.55) MEN1KMT2AIDO1HRH3DRD2
SCHEMBL1001167 0.81 TSHR (0.58) IDO1HRH3TDP1L3MBTL1
SCHEMBL6895507 0.81 LTA4H (0.55) TDP1L3MBTL1
SCHEMBL10500468 0.80 CA1 (0.45) IDO1NPC1RAB9AHTR2ACA1
SCHEMBL4889966 0.80 ESR1 (0.48) KMT2AHTR2CSIGMAR1CA1CA2

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
CN-1129599-C Substituted benzothiazine/oxazine-2-amine derivatives, co-preparation method and application thereof PF MEDICAMENT (FR) 2003-12-03 CN disclosed
US-6531469-B1 Treatment of myocardial ischemia, chronic stable angina, unstable angina and prinzmetal's angina attacks, silent cardiac ischemia, reinfarction, reocclusion and restenosis PIERRE FABRE MEDICAMENT (FR) 2003-03-11 US 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
CN-1344267-A Substituted 1- (piperidin-4-yl) -3- (aryl) isothioureas, their preparation and their therapeutic use PF MEDICAMENT (FR) 2002-04-10 CN 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-2000043391-A1 SUBSTITUTED 1-(PIERIDIN-4-YL)-3-(ARYL) ISOTHIOUREAS THEIR PREPARATION AND THERAPEUTIC APPLICATION PIERRE FABRE MEDICAMENT (FR) 2000-07-27 WO disclosed