SCHEMBL9466843

SCHEMBL9466843

O=C(CCC1Cc2c(Cl)cccc21)N1CCN(c2cccc3c2CCOO3)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
AKR1C3 P42330 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
GFER P55789 1/20 0.36
ADAMTS5 Q9UNA0 3/20 0.36
POLB P06746 1/20 0.36
GRM5 P41594 1/20 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
SCHEMBL9183269 0.87 POLB (0.39) TSHRMEN1KMT2AMAPTPOLB
SCHEMBL9180804 0.84 DRD2 (0.40) DRD2
SCHEMBL9177692 0.84 DRD2 (0.40) DRD2
SCHEMBL9467119 0.83 POLB (0.38) TSHRMEN1KMT2AMAPTPOLB
SCHEMBL9466855 0.83 HTR1A (0.45)
SCHEMBL9179801 0.82 DRD4 (0.43) DRD2DRD3
SCHEMBL9466287 0.82 DRD4 (0.43) DRD2DRD3
SCHEMBL9178717 0.82 GAA (0.44) TSHRMEN1KMT2AALDH1A1GAA
SCHEMBL9466094 0.82 GAA (0.44) TSHRMEN1KMT2AALDH1A1GAA
SCHEMBL9174152 0.81 HTR2C (0.37) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5194437-A Substituted with oxygen containing heterocycle, central nervous system disorders, neuroendocrine disorders ADIR ET COMPAGNIE (FR) 1993-03-16 US disclosed
EP-0490772-A1 1,4-Disubstituted piperazines, their process of preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-06-17 EP disclosed