SCHEMBL23875568

SCHEMBL23875568

CCCc1ccccc1NC(CC)CC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.46
▸ ADRA2B P18089 2/20 0.41
▸ ADRA2C P18825 2/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ POLB P06746 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL13689141 0.82 ADRA2B (0.42) IDO1ADRA2BADRA2CTAS1R3TAS1R1
SCHEMBL18991480 0.82 ADRA2B (0.44) ADRA2BADRA2CTAS1R3TAS1R1POLB
SCHEMBL11455283 0.79 ADRA2B (0.40) ADRA2BADRA2CTAS1R3TAS1R1POLB
SCHEMBL2971712 0.78 TAS1R3 (0.46) IDO1TAS1R3TAS1R1POLBMAPK1
SCHEMBL13813554 0.77 ADRA2B (0.46) ADRA2BADRA2CP2RX7MEN1KMT2A
SCHEMBL8679853 0.75 ADRA2B (0.53) IDO1ADRA2BADRA2CPOLBMEN1
SCHEMBL1135151 0.75 ADRA2B (0.45) ADRA2BADRA2CPOLBP2RX7
SCHEMBL22619346 0.74 ADRA2B (0.44) ADRA2BADRA2CTAS1R3TAS1R1POLB
SCHEMBL7438728 0.74 ALDH1A1 (0.46) ADRA2BADRA2CTAS1R3TAS1R1POLB
SCHEMBL9413635 0.74 ADRA2B (0.44) ADRA2BADRA2CTAS1R3TAS1R1POLB

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-2021195346-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-09-30 — — WO disclosed
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