SCHEMBL8189028

SCHEMBL8189028

CN(C)Cc1ccc2oc(C(=O)O)c(-c3ccccc3Cl)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR1E P28566 1/20 0.42
HTR7 P34969 1/20 0.42
HTR2B P41595 1/20 0.42
HTR3A P46098 1/20 0.42
HTR5A P47898 1/20 0.42
HTR6 P50406 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MCL1 Q07820 1/20 0.40
TSHR P16473 3/20 0.39
HPGD P15428 1/20 0.39
USP2 O75604 1/20 0.38
AOC3 Q16853 1/20 0.38

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
SCHEMBL8197642 0.87 THRB (0.44) MEN1KMT2ANPSR1ALDH1A1MCL1
SCHEMBL8202581 0.81 PTGES (0.44) MEN1KMT2ANPSR1ALDH1A1S1PR4
SCHEMBL8200416 0.81 PIM1 (0.49) MEN1KMT2ANPSR1ALDH1A1MCL1
SCHEMBL8199557 0.80 MCL1 (0.57) MEN1KMT2ANPSR1ALDH1A1MCL1
SCHEMBL8197603 0.79 ACHE (0.43) HTR1AHTR7HTR6MEN1KMT2A
SCHEMBL8200379 0.78 MAPT (0.42) MEN1KMT2ANPSR1ALDH1A1MCL1
SCHEMBL8189205 0.78 KDM4E (0.52) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL8196502 0.78 NPC1 (0.44) KMT2AALDH1A1TSHRHPGDMAPK1
SCHEMBL9220776 0.77 KMT2A (0.46) MEN1KMT2ANPSR1ALDH1A1MCL1
SCHEMBL8187979 0.77 MCL1 (0.46) MEN1KMT2ANPSR1ALDH1A1MCL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE36832-E AN ANTICHOLESTEROL AGENT TREATING HYPERCHOLESTEROLEMIA NIHON NOHYAKU CO., LTD (JP) 2000-08-22 US disclosed
EP-0613894-B1 N-Heteroaryl-N'-phenylurea derivatives, their production and use NIHON NOHYAKU CO LTD (JP) 1999-05-06 EP disclosed
US-5464863-A Anticholesterol agents NIHON NOHYAKU CO., LTD. (JP) 1995-11-07 US disclosed
EP-0613894-A1 N-Heteroaryl-N'-phenylurea derivatives, their production and use NIHON NOHYAKU CO., LTD. (JP) 1994-09-07 EP disclosed