SCHEMBL7868671

SCHEMBL7868671

CC(C)(NCCCc1ncc[nH]1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.43
TBXAS1 P24557 2/20 0.41
TERT O14746 1/20 0.41
HRH4 Q9H3N8 1/20 0.39
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NAMPT P43490 1/20 0.36
HTR1A P08908 1/20 0.35

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 0.86 NAMPT (0.43) TAAR1TBXAS1TERTNAMPT
SCHEMBL7875355 0.84 TAAR1 (0.41) TAAR1TBXAS1TERTHRH4CYP2D6
SCHEMBL7875230 0.83 TBXAS1 (0.37) TAAR1TBXAS1TERTHRH4NAMPT
SCHEMBL9367836 0.83 TERT (0.41) TAAR1TBXAS1TERTNAMPT
SCHEMBL7879555 0.82 TDP1 (0.47) TAAR1TBXAS1TSHRSMN1; SMN2LMNA
SCHEMBL7875358 0.81 TBXAS1 (0.36) TBXAS1TERTHRH4NAMPT
SCHEMBL18995941 0.81 TERT (0.49) TAAR1TBXAS1TERTHRH4NAMPT
SCHEMBL7877363 0.79 TAAR1 (0.40) TAAR1TBXAS1TERTHRH4CYP2D6
SCHEMBL7868545 0.79 TBXAS1 (0.39) TBXAS1HRH4SMN1; SMN2GAANAMPT
SCHEMBL7877318 0.77 CA9 (0.41) SMN1; SMN2LMNAMEN1KMT2A

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