SCHEMBL3654296

SCHEMBL3654296

CC1(N2CCC(N[C@H]3CCCC[C@@H]3CC#N)CC2)CCN(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 18/20 0.39
CCR5 P51681 2/20 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
SCHEMBL4422275 0.86 THRB (0.38) KDM1A
SCHEMBL647517 0.86 EPHX1 (0.42) KDM1A
SCHEMBL647333 0.82 EPHX1 (0.38) KDM1A
SCHEMBL10092888 0.81 KDM1A (0.39) KDM1A
SCHEMBL5202351 0.80 THRB (0.33) KDM1A
SCHEMBL3648960 0.79 CCR5 (0.39) KDM1ACCR5
SCHEMBL3648961 0.79 CCR5 (0.39) KDM1ACCR5
SCHEMBL3648964 0.79 CCR5 (0.39) KDM1ACCR5
SCHEMBL3654749 0.79 CCR5 (0.39) KDM1ACCR5
SCHEMBL3653175 0.79 CCR5 (0.39) KDM1ACCR5

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-2197843-A1 PIPERIDINE DERIVATIVES AS AGONISTS OF MUSCARINIC RECEPTORS AstraZeneca AB (SE) 2010-06-23 EP disclosed
WO-2009034380-A1 PIPERIDINE DERIVATIVES AS AGONISTS OF MUSCARINIC RECEPTORS ASTRAZENECA AB (SE) 2009-03-19 WO disclosed