SCHEMBL7877070

SCHEMBL7877070

CCC(CC)(NCCCn1cnc(CCNC(=O)c2ccccc2)c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.41
MAPT P10636 2/20 0.40
NAAA Q02083 1/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 4/20 0.38
GAA P10253 3/20 0.38
KDM1A O60341 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL7868627 0.92 MAPT (0.47) MAPTNPC1RAB9AGAAMEN1
SCHEMBL7868567 0.91 NOS3 (0.42) MAPTNPC1RAB9AGAAKDM1A
SCHEMBL7875130 0.84 PRMT5 (0.40) ESRRGMAPTNAAANPC1RAB9A
SCHEMBL7875247 0.83 ESRRG (0.42) ESRRGMAPTNPC1RAB9AMEN1
SCHEMBL7875144 0.82 CPB2 (0.40) KDM1A
SCHEMBL8443443 0.82 CPB2 (0.36) GAAKDM1AHDAC6KDM4E
SCHEMBL7873908 0.81 NPC1 (0.42) ESRRGMAPTNPC1RAB9AGAA
SCHEMBL8447250 0.80 CPB2 (0.37) KDM1AHDAC6
SCHEMBL7877299 0.69 TP53 (0.40) ESRRGMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8443379 0.68 CYP11B1 (0.52) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5780642-A NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US claimed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO claimed
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