SCHEMBL9765053

SCHEMBL9765053

O=C(Nc1c(Cl)cccc1Cl)N(Cc1ccccc1)CC1(c2ccccc2)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EGFR P00533 2/20 0.41
ERBB2 P04626 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 1/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
CACNA1G O43497 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
SCHEMBL9765058 0.86 TP53 (0.46) NPSR1ALDH1A1MEN1KMT2AEGFR
SCHEMBL9765050 0.84 SOAT1 (0.51) NPSR1ALDH1A1MEN1KMT2ASLC6A2
SCHEMBL9765026 0.82 EGFR (0.43) NPSR1ALDH1A1MEN1KMT2AEGFR
SCHEMBL11137914 0.81 ALDH1A1 (0.63) NPSR1ALDH1A1MEN1KMT2AEGFR
SCHEMBL9765032 0.76 MMP1 (0.48) ALDH1A1SMN1; SMN2
SCHEMBL6803071 0.75 UBE2M (0.46) NPSR1ALDH1A1KMT2ALMNA
SCHEMBL6808919 0.74 SOAT1 (0.50) MEN1KMT2ALMNA
SCHEMBL11144230 0.73 ALDH1A1 (0.55) NPSR1ALDH1A1EGFRERBB2TRPV1
SCHEMBL6803622 0.71 NMBR (0.45)
SCHEMBL9680743 0.70 SOAT1 (0.51) MEN1KMT2ASLC6A2SLC6A4SLC6A3

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-4994465-A Antihyperlipidemic and antiatherosclerotic trisubstituted urea compounds WARNER-LAMBERT COMPANY (US) 1991-02-19 US claimed
EP-0384320-A1 Antihyperlipidemic and anti-atherosclerotic trisubstituted urea compounds WARNER-LAMBERT COMPANY (US) 1990-08-29 EP claimed
US-4994465-A Antihyperlipidemic and antiatherosclerotic trisubstituted urea compounds WARNER-LAMBERT COMPANY (US) 1991-02-19 US disclosed
EP-0384320-A1 Antihyperlipidemic and anti-atherosclerotic trisubstituted urea compounds WARNER-LAMBERT COMPANY (US) 1990-08-29 EP disclosed