SCHEMBL11265384

SCHEMBL11265384

[O-][S+](c1ccccc1)c1ccc(Cc2csc(N3CCNCC3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.45
TAAR1 Q96RJ0 1/20 0.39
HTR6 P50406 1/20 0.36
CETP P11597 1/20 0.35
ITGA2B P08514 1/20 0.35
AR P10275 3/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR3A P46098 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SCN4A P35499 1/20 0.33

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
SCHEMBL3015461 0.87 TAAR1 (0.50) AOC3TAAR1HTR6CETPITGA2B
SCHEMBL11071906 0.84 AOC3 (0.49) AOC3TAAR1HTR6ARTP53
SCHEMBL11063733 0.82 AOC3 (0.47) AOC3TAAR1HTR6CETPITGA2B
SCHEMBL11265409 0.82 HTR6 (0.52) AOC3TAAR1HTR6
SCHEMBL11070162 0.81 SCN4A (0.52) AOC3TAAR1HTR6CETPHSD17B10
SCHEMBL11064971 0.80 AOC3 (0.53) AOC3TAAR1HTR6ITGA2BHSD17B10
SCHEMBL11071226 0.79 CETP (0.51) AOC3HTR6CETPSMN1; SMN2RAB9A
SCHEMBL11064399 0.79 AOC3 (0.51) AOC3HTR6CETPARSMN1; SMN2
SCHEMBL11064121 0.79 AOC3 (0.51) AOC3HTR6CETPARHTR3A
SCHEMBL11065972 0.76 AOC3 (0.48) AOC3HTR6RAB9AHTR3AHTR3E

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-4312869-A Monosubstituted piperazines SCIENCE UNION ET CIE (FR) 1982-01-26 US claimed
US-4312869-A Monosubstituted piperazines SCIENCE UNION ET CIE (FR) 1982-01-26 US disclosed
US-4312869-A Monosubstituted piperazines SCIENCE UNION ET CIE (FR) 1982-01-26 US disclosed