SCHEMBL16335778

SCHEMBL16335778

COc1ccc(CN(C)CCCN2CCN(CCCNC(=O)O)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.56
ACKR3 P25106 2/20 0.51
DRD4 P21917 3/20 0.49
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
SMPD1 P17405 1/20 0.48
MAPT P10636 1/20 0.48
GFER P55789 1/20 0.47

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
SCHEMBL16340660 0.86 DRD2 (0.56) SIGMAR1ACKR3DRD4DRD2DRD3
SCHEMBL16340547 0.80 SMPD1 (0.48) SIGMAR1BCHEACHESMPD1
SCHEMBL16373183 0.80 HSD17B10 (0.59) SIGMAR1BCHEACHESMPD1
SCHEMBL30380101 0.76 SIGMAR1 (0.61) SIGMAR1DRD2ALDH1A1
SCHEMBL16373187 0.76 DRD2 (0.44) SIGMAR1DRD4DRD2ALDH1A1BCHE
SCHEMBL10724020 0.73 MAPT (0.75) DRD2DRD3ALDH1A1MAPT
SCHEMBL4730287 0.72 TMEM97 (0.68) SIGMAR1ACKR3
SCHEMBL31687472 0.72 SIGMAR1 (0.61) SIGMAR1ACKR3ALDH1A1BCHEACHE
SCHEMBL17372597 0.72 SIGMAR1 (1.00) SIGMAR1ACKR3
SCHEMBL16373188 0.72 SMPD1 (0.47) SIGMAR1BCHEACHESMPD1

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-3013824-A1 CARBOLINE COMPOUNDS USABLE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Alzprotect (FR) 2016-05-04 EP disclosed
WO-2014207240-A1 CARBOLINE COMPOUNDS USABLE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES ALZPROTECT (FR) 2014-12-31 WO disclosed