SCHEMBL12523886

SCHEMBL12523886

CCCNCCC1CCC(NC(=O)c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 7/20 0.57
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.50
▸ HPGD P15428 1/20 0.49
▸ CARM1 Q86X55 1/20 0.49
▸ PRMT6 Q96LA8 1/20 0.49
▸ DRD3 P35462 4/20 0.47
▸ SMYD3 Q9H7B4 3/20 0.47
▸ CRHR1 P34998 1/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ HTR1A P08908 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ POLB P06746 1/20 0.45

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
SCHEMBL13181085 0.89 MEN1 (0.58) DRD2MEN1KMT2ANPC1RAB9A
SCHEMBL7936347 0.85 DRD2 (0.50) DRD2MEN1KMT2ANPC1RAB9A
SCHEMBL25970123 0.83 ACHE (0.61) DRD2MEN1KMT2ANPC1RAB9A
SCHEMBL15014137 0.83 MEN1 (0.61) DRD2MEN1KMT2ANPC1RAB9A
SCHEMBL15014140 0.83 MEN1 (0.61) DRD2MEN1KMT2ANPC1RAB9A
SCHEMBL18387872 0.83 MEN1 (0.61) DRD2MEN1KMT2ANPC1RAB9A
SCHEMBL18383343 0.80 MEN1 (0.58) DRD2MEN1KMT2ANPC1RAB9A
SCHEMBL13152810 0.80 MEN1 (0.58) DRD2MEN1KMT2ANPC1RAB9A
SCHEMBL13152790 0.80 MEN1 (0.58) DRD2MEN1KMT2ANPC1RAB9A
SCHEMBL18387839 0.79 MEN1 (0.50) DRD2MEN1KMT2ANPC1RAB9A

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
WO-2012121919-A2 SELECTIVE LIGANDS FOR THE DOPAMINE 3 (D3) RECEPTOR AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-09-13 — — WO disclosed
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