SCHEMBL7877324

SCHEMBL7877324

CCC(CC)(NC(=O)CCn1cnc(CC#N)c1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.33
CPB2 Q96IY4 8/20 0.33
CPB1 P15086 4/20 0.33
HTT P42858 1/20 0.32
DUT P33316 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
HPGD P15428 1/20 0.31
TP53 P04637 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL8445865 0.80 CASR (0.34) CASRDUTHPGDTP53
SCHEMBL8652871 0.79 CASR (0.31) CASR
SCHEMBL9020703 0.75 HPGD (0.35) CPB2CPB1HTTHPGDTP53
SCHEMBL8443495 0.74 CYP11B1 (0.49) HTT
SCHEMBL9097894 0.68 CPB2 (0.42) CPB2CPB1ADORA2A
SCHEMBL8443443 0.67 CPB2 (0.36) CPB2CPB1
SCHEMBL8447250 0.66 CPB2 (0.37) CASRCPB2CPB1
SCHEMBL8652874 0.66 ALDH1A1 (0.35)
SCHEMBL14411529 0.66 LMNA (0.41) CASRHTT
SCHEMBL13684790 0.65 CPB2 (0.38) CPB2CPB1

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-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
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