SCHEMBL13451995

SCHEMBL13451995

CC(=O)Oc1cccc([C@H]2CCNC[C@@H]2C)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
CYP3A4 P08684 1/20 0.43
LMNA P02545 1/20 0.43
HTR2C P28335 2/20 0.42
SSTR1 P30872 2/20 0.41
SSTR4 P31391 2/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 1/20 0.38
KIF11 P52732 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
SLC9A1 P19634 1/20 0.38

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
SCHEMBL27768004 0.79 ACHE (0.47) ACHEHTR2CSSTR1SSTR4KMT2A
SCHEMBL30075780 0.78 SSTR1 (0.47) HTR2CSSTR1SSTR4
SCHEMBL23858278 0.78 SSTR1 (0.47) HTR2CSSTR1SSTR4
SCHEMBL23858281 0.78 SSTR1 (0.47) HTR2CSSTR1SSTR4
SCHEMBL23858279 0.78 SSTR1 (0.47) HTR2CSSTR1SSTR4
SCHEMBL13406406 0.77 KMO (0.49) SSTR1SSTR4MAPTPKM
SCHEMBL13406404 0.77 KMO (0.49) SSTR1SSTR4MAPTPKM
SCHEMBL13406472 0.77 KMO (0.49) SSTR1SSTR4MAPTPKM
SCHEMBL13406405 0.77 KMO (0.49) SSTR1SSTR4MAPTPKM
SCHEMBL13406407 0.77 KMO (0.49) SSTR1SSTR4MAPTPKM

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-1615699-B1 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS MERCK SHARP & DOHME (US) 2010-03-24 EP disclosed