SCHEMBL7422336

SCHEMBL7422336

O=C(O)c1ccc2c3c(n(Cc4ccccc4Cl)c2c1)CCCC3=O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.57
HDAC1 Q13547 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
DPP4 P27487 4/20 0.46
PTPN11 Q06124 1/20 0.45
SLC22A12 Q96S37 1/20 0.41
CCR2 P41597 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
HTR3A P46098 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.39
ALOX5AP P20292 1/20 0.39

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
SCHEMBL7418839 0.94 FABP4 (0.54) FABP4HDAC1HDAC6DPP4PTPN11
SCHEMBL7428003 0.91 HDAC1 (0.54) FABP4HDAC1HDAC6DPP4PTPN11
SCHEMBL7474547 0.88 HDAC1 (0.52) FABP4HDAC1HDAC6DPP4ALDH1A1
SCHEMBL7416251 0.85 ALDH1A1 (0.54) FABP4DPP4PTPN11SLC22A12CCR2
SCHEMBL7414769 0.84 HDAC1 (0.46) FABP4HDAC1HDAC6DPP4PTPN11
SCHEMBL7473427 0.82 DPP4 (0.46) FABP4HDAC1HDAC6DPP4ALDH1A1
SCHEMBL7424979 0.81 FABP4 (0.51) FABP4DPP4PTPN11SLC22A12CCR2
SCHEMBL7423051 0.76 DPP4 (0.45) FABP4HDAC1HDAC6DPP4CCR2
SCHEMBL4258844 0.75 PTPN11 (0.48) FABP4HDAC1HDAC6DPP4PTPN11
SCHEMBL31554282 0.75 FABP4 (0.77) FABP4HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820441-B1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-26 EP disclosed
US-6358992-B1 Method of inhibiting neoplastic cells with indole derivatives CELL PATHWAYS, INC. 2002-03-19 US disclosed
US-6069156-A Indole derivatives as cGMP-PDE inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-30 US disclosed
EP-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed
WO-1996032379-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-17 WO disclosed