SCHEMBL6995543

SCHEMBL6995543

COc1ccc(C(=O)O)c(CN2CCC(c3c[nH]c4ccc(CC(OC)c5ccsc5)cc34)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.42
HTR1A P08908 7/20 0.42
DRD2 P14416 5/20 0.42
HTR7 P34969 4/20 0.42
HTR6 P50406 4/20 0.42
HTR2A P28223 3/20 0.42
HSD11B1 P28845 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 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
SCHEMBL6991457 0.85 HTR1D (0.46) HTR2A
SCHEMBL6988593 0.79 HTR1D (0.39) HTR1AHSD11B1MTNR1AMTNR1B
SCHEMBL6795165 0.75 HTR1A (0.44) SLC6A4HTR1ADRD2HTR7HTR6
SCHEMBL6992269 0.74 HRH2 (0.54) HTR2AACHE
SCHEMBL5341487 0.70 HRH2 (0.52) HTR2A
Oxalic Acid SCHEMBL9030775 0.68 SLC6A4 (0.60) SLC6A4HTR1ADRD2HTR7HTR6
SCHEMBL8555729 0.66 HTR1A (0.64) SLC6A4HTR1ADRD2HTR7HTR6
SCHEMBL8557415 0.66 HTR1A (0.64) SLC6A4HTR1ADRD2HTR7HTR6
SCHEMBL5341311 0.66 MTNR1A (0.67) SLC6A4HTR1ADRD2HTR7HTR6
SCHEMBL16801572 0.66 MTNR1A (0.64) SLC6A4HTR1ADRD2HTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330453-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2003-07-30 EP disclosed
WO-2002036589-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA S.A. (ES) 2002-05-10 WO disclosed