SCHEMBL1870902

SCHEMBL1870902

CN1CCC[C@@H]1C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCc1cnc2[nH]ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
METAP2 P50579 2/20 0.41
KLKB1 P03952 6/20 0.40
MC4R P32245 1/20 0.39
MC5R P33032 1/20 0.39
MC3R P41968 1/20 0.39
KLK1 P06870 1/20 0.39
AADAT Q8N5Z0 2/20 0.39
TACR1 P25103 1/20 0.39
CHRNA7 P36544 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
METTL3 Q86U44 1/20 0.38
METTL14 Q9HCE5 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
SCHEMBL1871181 0.93 MASP2 (0.43) MASP2MEN1KMT2AMETAP2KLKB1
SCHEMBL1874196 0.93 MASP2 (0.43) MASP2MEN1KMT2AMETAP2KLKB1
SCHEMBL1875013 0.93 KLKB1 (0.44) MASP2KLKB1KLK1CHRNA7METTL3
SCHEMBL1867894 0.92 MASP2 (0.43) MASP2KLKB1KLK1TACR1METTL3
SCHEMBL1867150 0.92 MASP2 (0.43) MASP2KLKB1KLK1TACR1METTL3
SCHEMBL1880431 0.92 MASP2 (0.44) MASP2MEN1KMT2AMETAP2KLKB1
SCHEMBL1867433 0.91 MASP2 (0.42) MASP2MEN1KMT2AMETAP2KLKB1
Trifluoroacetic Acid SCHEMBL1873249 0.90 DPP4 (0.43) MASP2MEN1KMT2AKLKB1TACR1
SCHEMBL1870064 0.89 MASP2 (0.42) MASP2KLKB1KLK1TACR1
SCHEMBL1871442 0.88 MASP2 (0.45) MASP2KLKB1KLK1TACR1CHRNA7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011051672-A1 AZAINDOLE DERIVATIVES VANTIA LIMITED (GB) 2011-05-05 WO claimed
WO-2011051672-A1 AZAINDOLE DERIVATIVES VANTIA LIMITED (GB) 2011-05-05 WO disclosed