SCHEMBL5701282

SCHEMBL5701282

CCCCSN1CCCC2(CCN(Cc3ccc(Oc4ccccc4)cc3)C2=O)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.39
HCRTR1 O43613 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CCR5 P51681 12/20 0.39
RIPK1 Q13546 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 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
SCHEMBL5426313 0.80 HCRTR2 (0.39) HCRTR2HCRTR1MEN1KMT2ACCR5
Hydrochloric Acid SCHEMBL5431787 0.78 MEN1 (0.48) HCRTR2HCRTR1MEN1KMT2ACCR5
SCHEMBL5430005 0.75 MEN1 (0.40) HCRTR2HCRTR1MEN1KMT2ACCR5
SCHEMBL5430020 0.74 MEN1 (0.44) HCRTR2HCRTR1MEN1KMT2ARIPK1
SCHEMBL5423713 0.74 USP30 (0.48) HCRTR2HCRTR1MEN1KMT2ARIPK1
SCHEMBL5423453 0.74 NR3C1 (0.39) HCRTR2HCRTR1MEN1KMT2ARIPK1
SCHEMBL5425021 0.74 NR3C1 (0.45) KMT2ACYP3A4CYP2D6
SCHEMBL5427290 0.74 LMNA (0.50) MEN1KMT2ACYP3A4CYP2D6
SCHEMBL5422216 0.72 RIPK1 (0.47) HCRTR2HCRTR1MEN1KMT2ACCR5
SCHEMBL5429847 0.72 LIPE (0.43) HCRTR2HCRTR1MEN1KMT2ARIPK1

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
EP-1683797-A1 HETEROCYCLIC SPIRO COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-26 EP disclosed