SCHEMBL8326680

SCHEMBL8326680

N[C@@H](CCc1ccccc1)c1[c]ccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 4/20 0.37
ANPEP P15144 3/20 0.37
ERAP2 Q6P179 3/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
TAAR1 Q96RJ0 2/20 0.34
GRIK1 P39086 1/20 0.33
LAP3 P28838 3/20 0.33
SLC1A1 P43005 2/20 0.33
CYP19A1 P11511 1/20 0.33
GBA1 P04062 1/20 0.33
CYP2A6 P11509 1/20 0.32
HTR2A P28223 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32

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
SCHEMBL8321060 1.00 ERAP1 (0.37) ERAP1ANPEPERAP2IDO1TDO2
SCHEMBL8327451 0.78 TAAR1 (0.41) TAAR1HTR2A
SCHEMBL8328676 0.78 TAAR1 (0.41) TAAR1HTR2A
SCHEMBL3395633 0.74 ERAP1 (0.38) ERAP1ANPEPERAP2TAAR1LAP3
SCHEMBL8324453 0.71 IDO1 (0.44) ERAP1ANPEPERAP2IDO1TDO2
SCHEMBL8326385 0.71 IDO1 (0.38) ERAP1ANPEPERAP2IDO1TDO2
SCHEMBL6983597 0.70 HTR2A (0.39) TAAR1CYP2A6HTR2ASMN1; SMN2LOXL2
SCHEMBL6985071 0.68 IDO1 (0.36) IDO1TDO2GBA1CYP2A6
SCHEMBL855071 0.67 ANPEP (0.50) ERAP1ANPEPERAP2TAAR1CYP2A6
SCHEMBL8067078 0.67 ANPEP (0.50) ERAP1ANPEPERAP2TAAR1CYP2A6

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
EP-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed