SCHEMBL7875355

SCHEMBL7875355

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.41
TBXAS1 P24557 2/20 0.40
HTR1A P08908 1/20 0.40
TERT O14746 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
NAMPT P43490 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7868671 0.84 TAAR1 (0.43) TAAR1TBXAS1HTR1ATERTHRH4
SCHEMBL22851243 0.77 TERT (0.45) TAAR1TBXAS1HTR1ATERTNAMPT
SCHEMBL18995941 0.75 TERT (0.49) TAAR1TBXAS1HTR1ATERTHRH4
SCHEMBL7877363 0.74 TAAR1 (0.40) TAAR1TBXAS1TERTHRH4CYP2D6
SCHEMBL7875358 0.72 TBXAS1 (0.36) TBXAS1TERTHRH4NAMPT
Benzene SCHEMBL28150538 0.71 TBXAS1 (0.54) TAAR1TBXAS1HTR1ATERTHRH4
SCHEMBL22851368 0.71 TERT (0.51) TAAR1TBXAS1HTR1ATERTHRH4
SCHEMBL9368177 0.71 NAMPT (0.43) TAAR1TBXAS1TERTNAMPT
SCHEMBL7875158 0.71 ADRB2 (0.41) TAAR1NAMPTLMNAGAAKDM4E
SCHEMBL9658713 0.71 TAAR1 (0.54) TAAR1TBXAS1HRH4CYP2D6TSHR

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