SCHEMBL7868627

SCHEMBL7868627

CCC(CC)(NCCCn1cnc(CCNC(=O)c2ccc(OC)cc2)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
TSHR P16473 1/20 0.47
TP53 P04637 3/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
MEN1 O00255 2/20 0.42
NAMPT P43490 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 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
SCHEMBL7877070 0.92 ESRRG (0.41) MAPTKDM4EMAPK1KMT2ANPC1
SCHEMBL7868567 0.87 NOS3 (0.42) MAPTMAPK1KMT2ANPC1RAB9A
SCHEMBL7873908 0.78 NPC1 (0.42) MAPTALDH1A1KDM4ETSHRMAPK1
SCHEMBL7875144 0.77 CPB2 (0.40) TSHR
SCHEMBL8447250 0.77 CPB2 (0.37) ALDH1A1
SCHEMBL7875130 0.77 PRMT5 (0.40) MAPTALDH1A1KDM4EKMT2ANPC1
SCHEMBL7875247 0.76 ESRRG (0.42) MAPTALDH1A1TP53KMT2ANPC1
SCHEMBL7705937 0.66 ALDH1A1 (0.76) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL29111414 0.66 MTNR1A (0.65) MAPTALDH1A1KMT2ANPC1RAB9A
Benzene SCHEMBL28540557 0.65 NPC1 (0.77) MAPTALDH1A1KMT2ANPC1RAB9A

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-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed