SCHEMBL8587499

SCHEMBL8587499

CN(C)CCCc1cc(NC(=O)Nc2cccc(Cl)c2Cl)ccc1I

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 1/20 0.46
MAPK14 Q16539 8/20 0.44
HRH3 Q9Y5N1 1/20 0.42
MAPK1 P28482 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
POLB P06746 1/20 0.41
KCNJ6 P48051 1/20 0.41
KCNJ5 P48544 1/20 0.41
KCNJ3 P48549 1/20 0.41

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
SCHEMBL8589516 0.80 MEN1 (0.53) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL8587765 0.74 HTR1D (0.44) MEN1KMT2AMAPTCYP1A2TRPV1
SCHEMBL11797724 0.74 MEN1 (0.85) MEN1KMT2AMAPTLMNAMAPK14
SCHEMBL8589281 0.73 MEN1 (0.52) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL10455797 0.71 MEN1 (0.69) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL8590451 0.71 HRH3 (0.56) MAPTLMNAHRH3TRPV1POLB
SCHEMBL8589275 0.71 MEN1 (0.52) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL10710090 0.69 MEN1 (0.79) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL8619435 0.69 MAPK14 (0.50) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL10713102 0.69 MEN1 (0.79) MEN1KMT2AMAPTLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998050346-A2 ACETAMIDE AND UREA DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO claimed
WO-1998050346-A2 ACETAMIDE AND UREA DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed