SCHEMBL7418922

SCHEMBL7418922

CCCc1cc2ccc(C(=O)OC)cc2n1Cc1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
HPGD P15428 1/20 0.41
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
PPARG P37231 1/20 0.39
ACSS2 Q9NR19 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7425963 0.88 AGTR1 (0.51) HPGDAGTR1AGTR2PPARGACSS2
SCHEMBL7422231 0.87 MAPT (0.47) HPGDPPARGMTNR1AMTNR1BKDM4E
SCHEMBL7422758 0.87 AGTR1 (0.40) AGTR1AGTR2PPARGACSS2MAPT
SCHEMBL7423816 0.87 AGTR1 (0.43) AGTR1AGTR2PPARGACSS2NPC1
SCHEMBL7425637 0.78 MAPT (0.48) HPGDPPARGACSS2APOBEC3AAPOBEC3G
SCHEMBL7424836 0.77 MAPT (0.45) HPGDKDM4ENPC1MAPTRAB9A
SCHEMBL27485532 0.77 HPGD (0.38) PTGDR2HPGDAGTR1AGTR2ACSS2
SCHEMBL7470080 0.76 S1PR3 (0.41) PTGDR2HPGDAGTR1AGTR2PPARG
SCHEMBL15687577 0.76 MTNR1A (0.51) PPARGAPOBEC3AAPOBEC3GMTNR1AMTNR1B
SCHEMBL7420224 0.76 MAPT (0.44) HPGDKDM4ENPC1MAPTRAB9A

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
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