SCHEMBL7879771

SCHEMBL7879771

CC(C)(COc1ccccc1)NCCCn1cnc(CCN)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
MTOR P42345 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CPB2 Q96IY4 9/20 0.36
CPB1 P15086 4/20 0.35
QPCT Q16769 3/20 0.35
SSTR4 P31391 1/20 0.32

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
SCHEMBL7873908 0.83 NPC1 (0.42) TSHRTDP1
SCHEMBL7873737 0.83 GAA (0.41) TDP1
SCHEMBL7875144 0.78 CPB2 (0.40) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL9022390 0.77 HTR1B (0.38) TSHRTDP1SSTR4
SCHEMBL7873758 0.76 TBXAS1 (0.56) TDP1QPCT
SCHEMBL7868474 0.73 CYP2C9 (0.40) CYP2C9TSHRCYP2C19MTORHRH4
Hydrochloric Acid SCHEMBL7873720 0.72 TDP1 (0.41) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL8649046 0.72 CYP2C9 (0.36) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL7877344 0.72 TBXAS1 (0.53) CYP2C9TSHRCYP2C19TDP1QPCT
SCHEMBL8649048 0.72 CYP2C9 (0.35) CYP2C9TSHRCYP2C19MTORHRH4

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