SCHEMBL17444035

SCHEMBL17444035

CN(C)C1(c2cccs2)CCC2(CCN(C(=O)C=Cc3ccccc3)C2)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.50
OPRL1 P41146 13/20 0.50
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.42
AR P10275 1/20 0.40
LMNA P02545 1/20 0.40
GPR183 P32249 1/20 0.39

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
SCHEMBL17444034 1.00 OPRM1 (0.50) OPRM1OPRL1POLBMEN1KMT2A
SCHEMBL19137915 1.00 OPRM1 (0.50) OPRM1OPRL1POLBMEN1KMT2A
SCHEMBL17443863 0.86 OPRM1 (0.44) OPRM1OPRL1POLBMEN1KMT2A
SCHEMBL17443865 0.86 OPRM1 (0.44) OPRM1OPRL1POLBMEN1KMT2A
SCHEMBL17444421 0.86 OPRM1 (0.44) OPRM1OPRL1POLBMEN1KMT2A
SCHEMBL17444086 0.85 OPRM1 (0.63) OPRM1OPRL1POLBMEN1KMT2A
SCHEMBL19137901 0.85 OPRM1 (0.63) OPRM1OPRL1POLBMEN1KMT2A
SCHEMBL17444085 0.85 OPRM1 (0.63) OPRM1OPRL1POLBMEN1KMT2A
SCHEMBL17444255 0.84 OPRM1 (0.45) OPRM1OPRL1POLBMEN1KMT2A
SCHEMBL17444258 0.84 OPRM1 (0.45) OPRM1OPRL1POLBMEN1KMT2A

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
EP-3169666-A1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-05-24 EP disclosed
WO-2016008582-A1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES Grünenthal GmbH (DE) 2016-01-21 WO disclosed