SCHEMBL2479990

SCHEMBL2479990

CC(=O)C1(c2ccccc2)CCN(C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1.CN(Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 12/20 0.46
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
TACR2 P21452 1/20 0.44
TACR1 P25103 1/20 0.44
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2477257 0.94 TACR3 (0.54) TACR3DRD2DRD4
SCHEMBL2480227 0.93 OPRM1 (0.45) TACR3DRD2DRD4TACR2TACR1
SCHEMBL2480300 0.91 TACR3 (0.46) TACR3DRD2DRD4TACR2TACR1
SCHEMBL2478604 0.90 TACR3 (0.52) TACR3TACR2TACR1
SCHEMBL2474067 0.89 TACR3 (0.51) TACR3
SCHEMBL2476664 0.89 TACR3 (0.58) TACR3PKMHTTSMN1; SMN2
SCHEMBL2479924 0.88 TACR3 (0.55) TACR3DRD2DRD4TACR2TACR1
SCHEMBL2477434 0.88 TACR3 (0.59) TACR3TACR2TACR1
SCHEMBL2480905 0.87 TACR3 (0.51) TACR3
SCHEMBL2477433 0.85 TACR3 (0.53) TACR3

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-1656349-B1 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS LUNDBECK & CO AS H (DK) 2011-10-12 EP claimed