SCHEMBL28103584

SCHEMBL28103584

CC(C)c1ccccc1N1CCC(C=O)N1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ ALOX15 P16050 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HCAR1 Q9BXC0 1/20 0.34
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32
▸ HTR7 P34969 4/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HTR1A P08908 2/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31

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
SCHEMBL28103632 0.79 ALOX5 (0.46) MGLLMAPTHCAR1HTR1ADRD2
SCHEMBL28103279 0.78 ALOX5 (0.46) MGLLALOX15ALDH1A1MAPTL3MBTL1
SCHEMBL28103546 0.78 MGLL (0.35) MGLLL3MBTL1HCAR1
SCHEMBL28103298 0.77 DRD2 (0.48) MGLLALDH1A1MAPTHTR7DRD2
SCHEMBL28103538 0.74 NCF1 (0.38) —
SCHEMBL27671224 0.73 ALOX5 (0.41) ALOX15L3MBTL1
SCHEMBL28103609 0.70 NOTUM (0.38) HTR1ADRD2P2RX7
SCHEMBL28158046 0.68 FFAR4 (0.34) SMN1; SMN2
SCHEMBL28290843 0.66 FAAH (0.42) FAAHMGLLALOX15ALDH1A1MAPT
SCHEMBL5336801 0.65 ADRB1 (0.65) ALDH1A1MAPTHTR7HTR1ADRD2

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
CN-106061950-A Method for producing pyrazole compound 住友化学株式会社 2016-10-26 — — CN disclosed
Send feedback