SCHEMBL22791511

SCHEMBL22791511

C=Nc1ccc(C)cc1NCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ MAPT P10636 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ GAA P10253 4/20 0.34
▸ LMNA P02545 2/20 0.33
▸ GUCY1A1 Q02108 1/20 0.33
▸ GUCY1B1 Q02153 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ RAPGEF4 Q8WZA2 1/20 0.32
▸ PLK1 P53350 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL22791569 0.81 GAA (0.35) CYP3A4TSHRRECQLMAPTGAA
SCHEMBL20931145 0.81 KDM4E (0.36) CYP3A4TSHRRECQLMAPTHTT
SCHEMBL24292050 0.81 STAT3 (0.36) CYP3A4TSHRRECQLMAPTHTT
SCHEMBL22791425 0.78 GAA (0.37) CYP3A4CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL19827908 0.76 IDO1 (0.40) CYP3A4TSHRRECQLCYP1A2CYP2C19
SCHEMBL28843159 0.76 TSHR (0.41) CYP3A4TSHRRECQLCYP1A2CYP2C9
SCHEMBL2499765 0.75 CYP3A4 (0.64) CYP3A4TSHRRECQLCYP1A2CYP2C9
SCHEMBL19337478 0.73 TAAR1 (0.37) CYP3A4TSHRCYP1A2MAPTALDH1A1
SCHEMBL8285135 0.72 TSHR (0.41) CYP3A4TSHRRECQLCYP1A2CYP2C9
SCHEMBL12327878 0.72 SMN1; SMN2 (0.44) CYP3A4TSHRRECQLCYP1A2CYP2C9

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-2020252205-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC (US) 2020-12-17 — — WO disclosed
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