SCHEMBL4424598

SCHEMBL4424598

C=CCN1C(=O)N(C2CCN(C(=O)O)CC2)[C@H]2CCCC[C@@H]21

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.45
OPRL1 P41146 9/20 0.45
BRD4 O60885 1/20 0.30
TAF1 P21675 1/20 0.30

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
SCHEMBL1930600 0.82 OPRM1 (0.42) OPRM1OPRL1
SCHEMBL1929076 0.81 OPRM1 (0.54) OPRM1OPRL1
SCHEMBL1929418 0.78 OPRM1 (0.43) OPRM1OPRL1
SCHEMBL8226783 0.76 OPRM1 (0.51) OPRM1OPRL1
SCHEMBL4421699 0.71 OPRM1 (0.40) OPRM1OPRL1
SCHEMBL8224275 0.68 OPRM1 (0.47) OPRM1OPRL1
SCHEMBL27687407 0.67 P2RX7 (0.33)
SCHEMBL13380553 0.66 OPRM1 (0.57) OPRM1OPRL1
SCHEMBL13380625 0.66 OPRM1 (0.57) OPRM1OPRL1
SCHEMBL3412257 0.63 L3MBTL3 (0.33) OPRM1OPRL1

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-2035411-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA. Astra Zeneca AB (SE) 2009-03-18 EP disclosed
WO-2007142583-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA. ASTRAZENECA AB (SE) 2007-12-13 WO disclosed