SCHEMBL6653680

SCHEMBL6653680

COc1ccnc(N2CCN(C3=NC=C3c3csc4ccccc34)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.40
HCRTR2 O43614 14/20 0.40
OGA O60502 1/20 0.39
HTR1A P08908 1/20 0.36
TSPO P30536 1/20 0.36
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.35

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
SCHEMBL6653107 0.78 HCRTR1 (0.48) HCRTR1HCRTR2OGA
SCHEMBL6660079 0.73 HCRTR1 (0.45) HCRTR1HCRTR2HTR1ATSPOMAPT
SCHEMBL28019839 0.67 OGA (0.51) OGA
SCHEMBL30230144 0.67 OGA (0.51) OGA
SCHEMBL28106498 0.67 OGA (0.50) HCRTR1HCRTR2OGAHTR1ATSPO
SCHEMBL28222348 0.66 OGA (0.49) HCRTR1HCRTR2OGAHTR1ATSPO
SCHEMBL6652322 0.66 OGA (0.50) HCRTR1HCRTR2OGAMAPT
SCHEMBL6655479 0.65 ALDH1A1 (0.74) HCRTR1HCRTR2MAPT
SCHEMBL2385570 0.65 HRH4 (0.51)
Hydrochloric Acid SCHEMBL6654568 0.65 ALDH1A1 (0.72) HCRTR1HCRTR2MAPT

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-1006110-B1 DERIVATIVES OF ACYL-PIPERAZINIL-PYRIMIDINS, PREPARATION THEREOF AND APPLICATION AS MEDICAMENTS ESTEVE LABOR DR (ES) 2004-02-11 EP claimed