SCHEMBL7800632

SCHEMBL7800632

N#Cc1ccc(N2CCC(Br)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
ROCK2 O75116 4/20 0.41
FNTA P49354 6/20 0.41
FNTB P49356 6/20 0.41
PGGT1B P53609 5/20 0.41
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
KCNH2 Q12809 1/20 0.39
GRM2 Q14416 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37
CYP11B2 P19099 1/20 0.36
ELANE P08246 1/20 0.36
FPR2 P25090 1/20 0.36

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
SCHEMBL5181549 0.81 HDAC1 (0.49) HDAC1HDAC8HDAC6ROCK2FNTA
SCHEMBL6533191 0.81 HDAC1 (0.49) HDAC1HDAC8HDAC6ROCK2FNTA
SCHEMBL16468325 0.80 ROCK2 (0.48) HDAC1HDAC8HDAC6ROCK2FPR2
Hydrochloric Acid SCHEMBL7413199 0.79 HDAC1 (0.48) HDAC1HDAC8HDAC6ROCK2FNTA
Hydrochloric Acid SCHEMBL7413194 0.79 HDAC1 (0.48) HDAC1HDAC8HDAC6ROCK2FNTA
SCHEMBL22481515 0.78 HDAC6 (0.46) HDAC1HDAC8HDAC6ROCK2
SCHEMBL1514921 0.78 MEN1 (0.50) HDAC1HDAC8HDAC6ROCK2POLB
SCHEMBL892246 0.77 HDAC1 (0.52) HDAC1HDAC8HDAC6ROCK2FNTA
SCHEMBL7614138 0.75 USP2 (0.44) ROCK2FNTAFNTBKDM4EKCNH2
SCHEMBL7614141 0.75 USP2 (0.44) ROCK2FNTAFNTBKDM4EKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068183-A2 PROCESS FOR THE PREPARATION OF A 2-OXOPYRROLIDINE COMPOUND G.D. SEARLE & CO. (US) 2001-01-17 EP disclosed
US-5986107-A Process for the preparation of a 2-oxopyrrolidine compound G. D. SEARLE & CO. (US) 1999-11-16 US disclosed
US-5986107-A Process for the preparation of a 2-oxopyrrolidine compound G. D. SEARLE & CO. (US) 1999-11-16 US disclosed
WO-1999051573-A2 PROCESS FOR THE PREPARATION OF A 2-OXOPYRROLIDINE COMPOUND G.D. SEARLE & CO. (US) 1999-10-14 WO disclosed