SCHEMBL9467119

SCHEMBL9467119

O=C(CCC1CCc2ccccc21)N1CCN(c2cccc3c2CCOO3)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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 0.93 POLB (0.39) POLBMEN1LMNAMAPTTSHR
SCHEMBL9181621 0.93 PTGDR2 (0.39) POLBLMNAMTNR1AMTNR1B
SCHEMBL9176498 0.87 PTGDR2 (0.40) MEN1MAPTKMT2A
SCHEMBL9183289 0.85 PREP (0.43) POLBMEN1LMNAMAPTTSHR
SCHEMBL1038532 0.84 HTR2C (0.44)
SCHEMBL9175625 0.84 HTR2C (0.44)
SCHEMBL9466843 0.83 HTR7 (0.38) POLBMEN1MAPTTSHRKMT2A
SCHEMBL9467135 0.83 HTR1A (0.51) LMNA
SCHEMBL9467351 0.82 DRD4 (0.50)
SCHEMBL9467334 0.82 DRD4 (0.50)

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
US-5194437-A Substituted with oxygen containing heterocycle, central nervous system disorders, neuroendocrine disorders ADIR ET COMPAGNIE (FR) 1993-03-16 US disclosed