SCHEMBL2564778

SCHEMBL2564778

O=C(NC1CCN(Cc2ccc3ccccc3c2)C1)c1ccccc1

nearest known ligand 0.87

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.87
CCR3 P51677 2/20 0.72
DRD4 P21917 3/20 0.68
SLC6A12 P48065 1/20 0.68
SLC6A13 Q9NSD5 1/20 0.68
DRD2 P14416 2/20 0.66
SIGMAR1 Q99720 1/20 0.65

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
SCHEMBL678856 0.87 MCHR1 (1.00) MCHR1DRD4
SCHEMBL678857 0.87 MCHR1 (1.00) MCHR1DRD4
SCHEMBL7694199 0.86 DRD2 (0.85) MCHR1DRD4SLC6A12DRD2SIGMAR1
SCHEMBL7694198 0.86 DRD2 (0.85) MCHR1DRD4SLC6A12DRD2SIGMAR1
SCHEMBL10962511 0.85 MCHR1 (0.64) MCHR1CCR3DRD4SIGMAR1
SCHEMBL18841090 0.84 CCR3 (1.00) MCHR1CCR3DRD4DRD2
Panuramine SCHEMBL2037759 0.84 MCHR1 (0.83) MCHR1CCR3DRD4SLC6A12SLC6A13
Panuramine SCHEMBL9749426 0.83 MCHR1 (0.81) MCHR1CCR3DRD4SLC6A12SLC6A13
SCHEMBL9593277 0.83 MCHR1 (0.81) MCHR1CCR3DRD4SLC6A12SLC6A13
SCHEMBL9601120 0.82 MCHR1 (0.80) MCHR1CCR3DRD4SLC6A12SLC6A13

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-2382975-A2 Neurogenesis by modulating angiotensin Braincells, Inc. (US) 2011-11-02 EP disclosed