SCHEMBL9020747

SCHEMBL9020747

CCc1ccccc1C(CC)NCCCc1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.45
HTR1A P08908 1/20 0.45
HRH4 Q9H3N8 2/20 0.37
TBXAS1 P24557 2/20 0.36
TERT O14746 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
NAMPT P43490 5/20 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
SCHEMBL9370707 0.76 TAAR1 (0.42) TAAR1HRH4TBXAS1TERTNAMPT
SCHEMBL9021052 0.74 ADRB2 (0.44) TAAR1HRH4TBXAS1TERTADRA2C
SCHEMBL21099034 0.72 TERT (0.49) TAAR1HRH4TBXAS1TERTNAMPT
SCHEMBL23761758 0.68 TERT (0.51) TAAR1HRH4TBXAS1TERT
SCHEMBL7875355 0.68 TAAR1 (0.41) TAAR1HTR1AHRH4TBXAS1TERT
SCHEMBL21573829 0.67 TERT (0.50) TAAR1HTR1AHRH4TBXAS1TERT
SCHEMBL1488117 0.67 TERT (0.53) TAAR1HTR1AHRH4TBXAS1TERT
SCHEMBL27220846 0.66 TERT (0.56) TAAR1HTR1ATBXAS1TERTNAMPT
SCHEMBL13896544 0.66 MPO (0.61)
SCHEMBL28937531 0.66 TERT (0.49) TAAR1HTR1AHRH4TBXAS1TERT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed