SCHEMBL7868567

SCHEMBL7868567

CCC(CC)(NCCCn1cnc(CCNC(=O)c2ccc(C#N)cc2)c1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
SIGMAR1 Q99720 2/20 0.40
TMEM97 Q5BJF2 1/20 0.39
CCR3 P51677 1/20 0.39
RAB9A P51151 5/20 0.38
NAMPT P43490 3/20 0.38
NPC1 O15118 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 2/20 0.37
GFER P55789 1/20 0.37
CHRM4 P08173 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
EPHX2 P34913 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KDM1A O60341 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
SCHEMBL7877070 0.91 ESRRG (0.41) RAB9ANAMPTNPC1MEN1KMT2A
SCHEMBL7868627 0.87 MAPT (0.47) RAB9ANAMPTNPC1MEN1KMT2A
SCHEMBL7875144 0.77 CPB2 (0.40) KDM1A
SCHEMBL8443443 0.76 CPB2 (0.36) GAAKDM1AHDAC6
SCHEMBL7875130 0.76 PRMT5 (0.40) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL7875247 0.75 ESRRG (0.42) SIGMAR1TMEM97RAB9ANAMPTNPC1
SCHEMBL7873908 0.75 NPC1 (0.42) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL8447250 0.74 CPB2 (0.37) KDM1AHDAC6
SCHEMBL7877324 0.66 CASR (0.33) HTT
SCHEMBL14502263 0.66 HDAC2 (0.68) SIGMAR1TMEM97RAB9ANPC1MEN1

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
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 disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed