SCHEMBL11047774

SCHEMBL11047774

Cc1cccc(Cc2nc[nH]c2C)c1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.46
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
GABRR1 P24046 1/20 0.41
CD44 P16070 2/20 0.40
TAAR1 Q96RJ0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL11046386 0.86 HTR3A (0.48) HTR3AHRH2HRH1HRH4HRH3
SCHEMBL11047575 0.82 TAAR1 (0.51) HTR3AHRH2HRH1HRH4HRH3
SCHEMBL9519546 0.76 GABRR1 (0.41) HTR3AHRH2HRH1HRH4HRH3
SCHEMBL644231 0.75 HTR3A (0.59) HTR3AHRH2HRH1HRH4HRH3
SCHEMBL10743073 0.75 HRH2 (0.53) HTR3AHRH2HRH1HRH4HRH3
SCHEMBL12301245 0.74 HTR3A (0.44) HTR3AHRH2HRH1HRH4HRH3
SCHEMBL3306785 0.73 ESR1 (0.47) TAAR1SMN1; SMN2
SCHEMBL10885778 0.73 TP53 (0.47) HRH2HRH1HRH4HRH3TDP1
SCHEMBL642976 0.73 HTR3A (0.54) HTR3AHRH2HRH1HRH4HRH3
SCHEMBL10741491 0.72 HRH2 (0.55) HTR3AHRH2HRH1HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4443466-A DIURETICS, SEDATIVES, ANALGESICS Farmos-Yhtyma OY (Farmos Group Ltd.) (FI) 1984-04-17 US claimed
EP-0024829-B1 4-BENZYL- AND 4-BENZOYLIMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Farmos-Yhtyma Oy (FI) 1984-04-25 EP disclosed
US-4443466-A DIURETICS, SEDATIVES, ANALGESICS Farmos-Yhtyma OY (Farmos Group Ltd.) (FI) 1984-04-17 US disclosed