SCHEMBL11064971

SCHEMBL11064971

O=C(c1ccccc1)c1ccc(Cc2csc(N3CCNCC3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.53
ALDH1A1 P00352 2/20 0.52
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 1/20 0.43
HTR6 P50406 2/20 0.42
PPARG P37231 1/20 0.42
CASP1 P29466 1/20 0.40
CASP4 P49662 1/20 0.40
CASP5 P51878 1/20 0.40
CHEK1 O14757 2/20 0.39
ITGA2B P08514 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
DNM1L O00429 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
BAZ2A Q9UIF9 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
SCHEMBL3015461 0.87 TAAR1 (0.50) AOC3HSD17B10HTR6ITGA2BTAAR1
SCHEMBL11071906 0.84 AOC3 (0.49) AOC3HSD17B10LMNAHTR6CHEK1
SCHEMBL11063733 0.82 AOC3 (0.47) AOC3HSD17B10HTR6ITGA2BTAAR1
SCHEMBL11265409 0.82 HTR6 (0.52) AOC3LMNAHTR6TAAR1
SCHEMBL11070162 0.81 SCN4A (0.52) AOC3ALDH1A1HSD17B10LMNAHTR6
SCHEMBL11265384 0.80 AOC3 (0.45) AOC3HSD17B10HTR6CHEK1ITGA2B
SCHEMBL11064399 0.79 AOC3 (0.51) AOC3ALDH1A1HSD17B10LMNAHTR6
SCHEMBL11071226 0.79 CETP (0.51) AOC3HTR6SIGMAR1
SCHEMBL11064121 0.79 AOC3 (0.51) AOC3HTR6BAZ2A
SCHEMBL11065972 0.76 AOC3 (0.48) AOC3ALDH1A1HTR6CHEK1SIGMAR1

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 4 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
EP-0005091-B1 MONOSUBSTITUTED PIPERAZINES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCIENCE UNION ET Cie SOCIETE FRANCAISE DE RECHERCHE MEDICALE (FR) 1981-11-25 EP claimed
US-4479952-A 1-(4-benzyl-2-thiazolyl) piperazine; antiinflammatory; immunomodulator SCIENCE UNION ET CIE (FR) 1984-10-30 US disclosed
US-4312869-A Monosubstituted piperazines SCIENCE UNION ET CIE (FR) 1982-01-26 US disclosed