SCHEMBL8472563

SCHEMBL8472563

NC(=O)C(Br)CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ERAP1 Q9NZ08 4/20 0.49
▸ ERAP2 Q6P179 3/20 0.49
▸ ANPEP P15144 2/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ 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
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HTT P42858 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
SCHEMBL4061138 0.84 CNR2 (0.49) ERAP1ERAP2ANPEPKMT2ACNR2
SCHEMBL5870056 0.84 CNR2 (0.49) ERAP1ERAP2ANPEPKMT2ACNR2
SCHEMBL6248066 0.84 CNR2 (0.49) ERAP1ERAP2ANPEPKMT2ACNR2
SCHEMBL27597075 0.80 EPHX1 (0.58) ANPEPEPHX1
SCHEMBL341788 0.80 ANPEP (0.52) ERAP1ERAP2ANPEPKMT2ACNR2
SCHEMBL5246633 0.80 EPHX1 (0.58) ANPEPEPHX1
SCHEMBL28107772 0.80 ERAP1 (0.52) ERAP1ERAP2ANPEPCNR2TSHR
SCHEMBL11083245 0.79 MDM2 (0.52) ERAP1ERAP2ANPEPKMT2ACNR2
SCHEMBL4024544 0.78 ERAP1 (0.55) ERAP1ERAP2ANPEPCNR2TSHR
SCHEMBL30136523 0.78 ERAP1 (0.51) ERAP1ERAP2ANPEPKMT2ACNR2

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
US-5968928-A Excitatory amino acid antagonists: fused-azacyclic quinoxalinediones and immunoassays thereof WARNER-LAMBERT COMPANY (US) 1999-10-19 — — US disclosed
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