SCHEMBL7876928

SCHEMBL7876928

CC(C)(NCCCc1ncc[nH]1)c1ccc(C(=O)NC2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 2/20 0.42
NAMPT P43490 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 1/20 0.40
BTK Q06187 1/20 0.40
HDAC4 P56524 1/20 0.39

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
SCHEMBL9368177 0.76 NAMPT (0.43) NAMPT
SCHEMBL7868671 0.75 TAAR1 (0.43) SMN1; SMN2KMT2ANAMPTMAPT
SCHEMBL7875230 0.75 TBXAS1 (0.37) NAMPT
SCHEMBL7868545 0.75 TBXAS1 (0.39) SMN1; SMN2NAMPTHDAC4
SCHEMBL27337368 0.75 TBXAS1 (0.40) SMN1; SMN2KMT2A
SCHEMBL7879609 0.74 GAA (0.53) NPC1SMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL7873879 0.73 TBXAS1 (0.38) NAMPT
SCHEMBL7875358 0.73 TBXAS1 (0.36) NAMPT
SCHEMBL7879544 0.73 ALDH1A1 (0.44) SMN1; SMN2KMT2ANAMPTCA1
SCHEMBL9367836 0.72 TERT (0.41) NAMPT

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