SCHEMBL4763376

SCHEMBL4763376

N#Cc1cccc(N2CCN(C(=O)c3cccnc3Oc3ccc(C(=O)O)cc3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 3/20 0.48
GPR6 P46095 4/20 0.45
PARP14 Q460N5 2/20 0.44
PARP10 Q53GL7 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ENPP2 Q13822 3/20 0.42

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
SCHEMBL4761143 0.90 SLC6A7 (0.49) SLC6A7GPR6MEN1KMT2AALDH1A1
SCHEMBL8250759 0.86 ALDH1A1 (0.57) SLC6A7PARP14PARP10MEN1KMT2A
SCHEMBL4761009 0.84 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL4761369 0.83 POLB (0.52) SLC6A7PARP14PARP10MEN1KMT2A
SCHEMBL8245894 0.82 POLB (0.47) SLC6A7MEN1KMT2AALDH1A1MAPT
SCHEMBL4763187 0.81 SMN1; SMN2 (0.55) SLC6A7PARP14PARP10MEN1KMT2A
SCHEMBL4762664 0.81 POLB (0.56) SLC6A7PARP14PARP10MEN1KMT2A
SCHEMBL4764201 0.81 POLB (0.49) SLC6A7MEN1KMT2AALDH1A1MAPT
SCHEMBL8246475 0.81 ALDH1A1 (0.58) SLC6A7PARP14PARP10ALDH1A1MAPT
SCHEMBL4762716 0.80 SMN1; SMN2 (0.51) SLC6A7MEN1KMT2AALDH1A1MAPT

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-1907363-A1 PHENYL SUBSTITUTED PIPERAZINE-DERIVATIVES AS INHIBITORS OF PLAMINOGENIC ACTIVATOR INHIBITORS-I (PAI-I) Bayer HealthCare AG (DE) 2008-04-09 EP disclosed
WO-2007009635-A1 PHENYL SUBSTITUTED PIPERAZINE-DERIVATIVES AS INHIBITORS OF PLAMINOGENIC ACTIVATOR INHIBITORS-I (PAI-I) BAYER HEALTHCARE AG (DE) 2007-01-25 WO disclosed
WO-2007009635-A1 PHENYL SUBSTITUTED PIPERAZINE-DERIVATIVES AS INHIBITORS OF PLAMINOGENIC ACTIVATOR INHIBITORS-I (PAI-I) BAYER HEALTHCARE AG (DE) 2007-01-25 WO disclosed