SCHEMBL7426778

SCHEMBL7426778

CCCc1c(Br)c2ccc(C(N)=O)cc2n1Cc1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
NPC1 O15118 5/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
PARP10 Q53GL7 1/20 0.39
PLA2G2A P14555 4/20 0.38
FOLH1 Q04609 1/20 0.38
CNR2 P34972 2/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ACSS2 Q9NR19 1/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL7422763 0.90 NPC1 (0.42) AGTR1AGTR2NPC1PARP10PLA2G2A
SCHEMBL7422125 0.87 AGTR1 (0.39) AGTR1AGTR2NPC1PARP10PLA2G2A
SCHEMBL27485532 0.82 HPGD (0.38) AGTR1AGTR2MTNR1AMTNR1BPARP10
SCHEMBL7423816 0.79 AGTR1 (0.43) AGTR1AGTR2NPC1PARP10FOLH1
SCHEMBL7427183 0.78 ALOX5AP (0.44) NPC1PLA2G2AALDH1A1TSHRMEN1
SCHEMBL7426692 0.77 ALOX5AP (0.43) NPC1PLA2G2ACNR2ALDH1A1TSHR
SCHEMBL7419910 0.77 AGTR1 (0.46) AGTR1AGTR2PLA2G2AFOLH1CNR2
SCHEMBL7424858 0.76 L3MBTL1 (0.47) NPC1PLA2G2ACNR2ALDH1A1TSHR
SCHEMBL7472399 0.75 ALDH1A1 (0.39) NPC1PLA2G2ACNR2ALDH1A1TSHR
SCHEMBL7425177 0.75 ALOX5AP (0.45) PLA2G2AALDH1A1MEN1KMT2A

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-0820441-B1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-26 EP disclosed
US-6069156-A Indole derivatives as cGMP-PDE inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-30 US disclosed
WO-1996032379-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-17 WO disclosed