SCHEMBL12658015

SCHEMBL12658015

O=C(O)c1[nH]cc(-c2c[nH]c3c2=CC(Cl)CC=3)c1-c1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 1/20 0.42
▸ F3 P13726 1/20 0.42
▸ SLC6A4 P31645 2/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ MAP2 P11137 1/20 0.35
▸ NHERF1 O14745 2/20 0.34
▸ NR4A2 P43354 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRK1 P41145 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
SCHEMBL12658115 0.89 NR4A2 (0.45) F7F3SLC6A4HTR2ANR4A2
SCHEMBL12658136 0.86 F7 (0.45) F7F3HTR2AMAP2NHERF1
SCHEMBL12658117 0.81 NR4A2 (0.45) SLC6A4NR4A2
SCHEMBL12658024 0.81 F7 (0.59) F7F3HTR2AMAP2NHERF1
SCHEMBL12658116 0.79 NR4A2 (0.44) F7F3SLC6A4HTR2ANR4A2
SCHEMBL12658126 0.79 NR4A2 (0.44) F7F3SLC6A4HTR2ANR4A2
SCHEMBL12658131 0.75 F7 (0.52) F7F3HTR2AMAP2NHERF1
SCHEMBL12658026 0.74 NR4A2 (0.48) F7F3NR4A2
SCHEMBL12658283 0.72 TSHR (0.42) F7F3NHERF1NR4A2
SCHEMBL12658020 0.72 F7 (0.60) F7F3HTR2AMAP2NHERF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711486-B1 BIS-INDOLE PYRROLES USEFUL AS ANTIMICROBIAL AGENTS NEREUS PHARMACEUTICALS INC (US) 2011-05-11 — — EP disclosed
Send feedback