SCHEMBL8606629

SCHEMBL8606629

O=C1C(O)CCN1c1ccc(F)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.41
HDAC6 Q9UBN7 3/20 0.39
FPR2 P25090 1/20 0.38
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
ROCK2 O75116 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL21795283 0.81 RAD51 (0.42) MCHR1HDAC6CCNA2CDK2CCNA1
SCHEMBL16874867 0.79 CCR1 (0.42) MCHR1CCNA2CDK2CCNA1
SCHEMBL5846834 0.78 ROCK2 (0.50) HDAC6FPR2CCNA2CDK2CCNA1
SCHEMBL18048847 0.78 ROCK2 (0.50) HDAC6FPR2CCNA2CDK2CCNA1
SCHEMBL16422794 0.78 FPR2 (0.48) FPR2CCNA2CDK2CCNA1ROCK2
SCHEMBL18048717 0.78 ROCK2 (0.50) HDAC6FPR2CCNA2CDK2CCNA1
SCHEMBL8606291 0.78 MCHR1 (0.46) MCHR1ROCK2
SCHEMBL15325269 0.77 MCHR1 (0.37) MCHR1HDAC6FPR2CCNA2CDK2
SCHEMBL8089006 0.77 TSHR (0.36) MCHR1TSHRL3MBTL1IDO1
SCHEMBL8604544 0.76 HDAC6 (0.42) MCHR1HDAC6FPR2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828710-A1 PROCESS FOR THE PREPARATION OF (THIO-)CARBONIC/CARBAMIC ACID 2-PYRROLIDONYL-3-ESTERS, THIO ESTERS AND AMIDES ZENECA LIMITED (GB) 1998-03-18 EP disclosed
US-5670656-A Process for preparing pyrrolidinones ZENECA LIMITED (GB) 1997-09-23 US disclosed
WO-1996037466-A1 PROCESS FOR THE PREPARATION OF (THIO-)CARBONIC/CARBAMIC ACID 2-PYRROLIDONYL-3-ESTERS, THIO ESTERS AND AMIDES ZENECA LIMITED (GB) 1996-11-28 WO disclosed