SCHEMBL9535966

SCHEMBL9535966

Cc1ccc(N2CCN(CCSc3nc[nH]n3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
DRD4 P21917 1/20 0.38
DRD2 P14416 1/20 0.38
ADRB1 P08588 1/20 0.38
DHFR P00374 1/20 0.38
GRIN2B Q13224 1/20 0.38
MAP4K1 Q92918 1/20 0.38
HTR1A P08908 1/20 0.38
PRNP P04156 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL9540523 0.88 HTR1A (0.48) MAPTMEN1KMT2AHTR2AHTR2C
SCHEMBL9535969 0.81 AR (0.48) MEN1KMT2AHTR2AHTR2CDRD2
SCHEMBL9537473 0.77 KDM4E (0.46) HTR2ADRD2HTR1A
SCHEMBL9537865 0.76 SIGMAR1 (0.53) MAPTHTR2ADRD2HTR1A
SCHEMBL9538643 0.76 KDM4E (0.45) MAPTHTR2ADRD4DRD2HTR1A
SCHEMBL9536766 0.76 ALDH1A1 (0.42) DRD2GRIN2B
SCHEMBL9536717 0.71 HTR1A (0.38) HTR2ADRD2ADRB1HTR1A
SCHEMBL9537328 0.68 SIGMAR1 (0.46) DRD4DRD2HTR1A
SCHEMBL10646895 0.68 DRD2 (0.49) HTR2ADRD2HTR1A
SCHEMBL20231203 0.68 MAPT (0.63) MAPTNPSR1KMT2ADRD2ADRB1

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-0254623-B1 AMINOALKYLTHIO TRIAZOLOPYRIDINE OR TRIAZOLOQUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM, PARTICULARLY USEFUL AS ANTALGICS LABORATOIRES UPSA (FR) 1993-06-09 EP disclosed