SCHEMBL7877035

SCHEMBL7877035

CC(C)(COc1ccccc1)NCCCn1cncc1CCNC(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.41
RAB9A P51151 8/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.39
ESRRG P62508 1/20 0.39
MAPK10 P53779 1/20 0.39
MAPK14 Q16539 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
GAA P10253 1/20 0.38
CYP11B1 P15538 1/20 0.37

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
SCHEMBL7876964 0.82 GAA (0.41) SMN1; SMN2POLBMEN1KMT2AGAA
SCHEMBL21139472 0.73 NAMPT (0.55) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL7873758 0.68 TBXAS1 (0.56) SMN1; SMN2POLBMEN1KMT2AGAA
SCHEMBL6985868 0.68 CYP11B1 (0.61) CYP11B1CYP11B2
SCHEMBL9022390 0.67 HTR1B (0.38) HTR1ACYP2D6SCN1ASLC6A3SCN5A
SCHEMBL7877344 0.64 TBXAS1 (0.53) SMN1; SMN2POLBMEN1KMT2AGAA
SCHEMBL7879771 0.64 CYP2C9 (0.38) QPCTTDP1
SCHEMBL5880647 0.64 CYP11B1 (0.61) CYP11B1CYP11B2
SCHEMBL17300881 0.64 NAMPT (0.53) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL7913580 0.64 LTA4H (0.47) SMN1; SMN2POLBMAPK1HTTHTR1A

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 5 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
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed