SCHEMBL31070485

SCHEMBL31070485

NC(=O)N1Cc2cc(N3CCCCC3)ccc2C1c1c[nH]c2cc(F)c(Cl)cc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 2/20 0.37
IDO1 P14902 2/20 0.34
KLKB1 P03952 2/20 0.33
MAP4K1 Q92918 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
TRPV1 Q8NER1 3/20 0.32
HSD11B1 P28845 1/20 0.31
RPS6KB1 P23443 1/20 0.31
F10 P00742 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 1/20 0.30
AVPR2 P30518 1/20 0.30
ABHD6 Q9BV23 1/20 0.30

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
SCHEMBL31070636 0.93 IDO1 (0.34) MAP2IDO1TRPV1HSD11B1SLC6A2
SCHEMBL31083745 0.92 MAP2 (0.36) MAP2IDO1KLKB1MAP4K1MRGPRX4
SCHEMBL31070569 0.86 HSD11B1 (0.44) IDO1HSD11B1SLC6A4HTR1AHTR2A
SCHEMBL31070496 0.86 KIF11 (0.40) MAP2IDO1HTR1AHTR2AHTR7
SCHEMBL31083718 0.84 TRPV1 (0.36) MAP2IDO1TRPV1HSD11B1SLC6A4
SCHEMBL31070505 0.83 POLB (0.39) TRPV1
SCHEMBL31070444 0.83 IDO1 (0.39) MAP2IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL31070656 0.82 KDM4E (0.39) TRPV1HSD11B1
SCHEMBL31070481 0.82 MAP2 (0.41) MAP2IDO1
SCHEMBL31083692 0.78 HSD11B1 (0.43) HSD11B1SLC6A4HTR1AHTR2A

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-118515600-A Isoindoline compound and medical application thereof 中国科学院上海药物研究所 2024-08-20 CN disclosed