SCHEMBL29979642

SCHEMBL29979642

Nc1ccccc1CCCc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
TAAR1 Q96RJ0 1/20 0.45
GPR84 Q9NQS5 1/20 0.44
MAOB P27338 3/20 0.42
HTR2A P28223 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
ALDH1A1 P00352 1/20 0.41
IGF1R P08069 1/20 0.41
ALOX15 P16050 1/20 0.41
AOC3 Q16853 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL2151219 0.84 SIGMAR1 (0.62) SIGMAR1TAAR1MAOBHTR2AHTR3A
SCHEMBL23159894 0.82 ALOX15 (0.47) SIGMAR1TAAR1MAOBHTR2AALDH1A1
SCHEMBL6004011 0.80 SIGMAR1 (0.46) SIGMAR1TAAR1MAOBHTR2AALDH1A1
SCHEMBL30929931 0.80 SIGMAR1 (0.46) SIGMAR1TAAR1MAOBHTR2AALDH1A1
SCHEMBL6159094 0.79 MEN1 (0.43) SIGMAR1TAAR1HTR2AALDH1A1ALOX15
SCHEMBL6365744 0.79 SIGMAR1 (0.47) SIGMAR1MAOBHTR2AALOX15
SCHEMBL2302649 0.78 KMT2A (0.50) TAAR1GPR84MAOBHTR2AALDH1A1
SCHEMBL2844470 0.78 TAAR1 (0.47) TAAR1GPR84ALDH1A1IGF1RALOX15
SCHEMBL10812127 0.78 HTR2A (0.60) SIGMAR1TAAR1GPR84MAOBHTR2A
SCHEMBL23159850 0.77 ALOX15 (0.47) SIGMAR1TAAR1MAOBALDH1A1ALOX15

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-115286575-A Quinolinone seven-eight membered ring derivative and synthesis method and application thereof 河南科技大学 2022-11-04 CN disclosed