SCHEMBL25866937

SCHEMBL25866937

CCC(N)CC(CC)c1ccc(C(CC)CC(N)CC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.48
▸ ADRA2B P18089 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ ESR1 P03372 3/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ SLC6A4 P31645 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ AR P10275 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CHRM1 P11229 1/20 0.33

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
SCHEMBL3621043 0.77 ADRB2 (0.42) ADRA2AADRA2BADRA2CSLC6A4LMNA
SCHEMBL3621046 0.77 ADRB2 (0.42) ADRA2AADRA2BADRA2CSLC6A4LMNA
SCHEMBL3619718 0.76 TRPA1 (0.47) ADRA2AADRA2CLMNACYP1A2CYP2D6
SCHEMBL3619720 0.76 TRPA1 (0.47) ADRA2AADRA2CLMNACYP1A2CYP2D6
SCHEMBL502912 0.76 TRPA1 (0.47) ADRA2AADRA2CLMNACYP1A2CYP2D6
SCHEMBL2971293 0.75 ADRA2A (0.52) ADRA2AADRA2BADRA2CHDAC8HDAC6
SCHEMBL13784991 0.73 ADRA2A (0.38) ADRA2AADRA2BADRA2CHDAC8HDAC6
SCHEMBL4433013 0.73 ADRB2 (0.52) ADRA2AADRA2BADRA2CSLC6A4LMNA
SCHEMBL3989199 0.72 ADRA2A (0.48) ADRA2AADRA2BADRA2CHDAC8HDAC6
SCHEMBL13470621 0.71 ESR1 (0.50) ADRA2AADRA2BADRA2CHDAC8HDAC6

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
WO-2023135838-A1 CARBON DIOXIDE ADSORBENT FOR AIR CONDITIONING, ADSORPTION DEVICE, AND AIR CONDITIONING DEVICE パナソニックIPマネジメント株式会社 2023-07-20 — — WO disclosed
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