SCHEMBL27587469

SCHEMBL27587469

NC(=O)C(F)CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ERAP1 Q9NZ08 4/20 0.49
▸ ERAP2 Q6P179 3/20 0.49
▸ ANPEP P15144 2/20 0.49
▸ CNR2 P34972 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ EPHX1 P07099 1/20 0.46
▸ KEAP1 Q14145 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ IL1RN P18510 2/20 0.43
▸ ACP3 P15309 1/20 0.43

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
SCHEMBL4063592 0.84 CNR2 (0.49) ERAP1ERAP2ANPEPCNR2TSHR
SCHEMBL6628999 0.84 CNR2 (0.49) ERAP1ERAP2ANPEPCNR2TSHR
SCHEMBL8990050 0.81 CNR2 (0.50) ERAP1ERAP2ANPEPCNR2TSHR
SCHEMBL341788 0.80 ANPEP (0.52) ERAP1ERAP2ANPEPCNR2TSHR
SCHEMBL29020043 0.80 EPHX1 (0.58) ANPEPEPHX1
SCHEMBL28107772 0.80 ERAP1 (0.52) ERAP1ERAP2ANPEPCNR2TSHR
SCHEMBL10779182 0.79 MDM2 (0.52) ERAP1ERAP2ANPEPCNR2TSHR
SCHEMBL6879395 0.79 TSHR (0.67) CNR2TSHR
SCHEMBL9264377 0.78 ANPEP (0.50) ERAP1ERAP2ANPEPCNR2TSHR
SCHEMBL5431087 0.78 ERAP1 (0.55) ERAP1ERAP2ANPEPCNR2TSHR

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-1512983-A Compounds and compositions as cathepsins inhibitors AXYSҩ�﹫˾ 2004-07-14 — — CN disclosed
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