SCHEMBL8689595

SCHEMBL8689595

CCCN(Cc1ccccc1)C1Cc2ccc(NC(=O)C3CC3)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.46
DRD2 P14416 4/20 0.45
DRD4 P21917 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GHSR Q92847 1/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9018943 0.89 DRD3 (0.50) DRD3DRD2DRD4HTR1DHTR1B
SCHEMBL30705737 0.89 DRD3 (0.50) DRD3DRD2DRD4HTR1DHTR1B
Cyclopropane Carboxylic Acid SCHEMBL17822673 0.89 TAS2R14 (0.48) DRD3DRD2DRD4HTR1DHTR1B
SCHEMBL8688537 0.88 DRD3 (0.50) DRD3DRD2DRD4HTR1DHTR1B
SCHEMBL30705735 0.85 DRD3 (0.46) DRD3DRD2DRD4HTR1DHTR1B
SCHEMBL8691516 0.85 DRD3 (0.46) DRD3DRD2DRD4HTR1DHTR1B
SCHEMBL30705739 0.81 DRD3 (0.48) DRD3DRD2DRD4HTR1DHTR1B
SCHEMBL8689579 0.81 DRD3 (0.48) DRD3DRD2DRD4HTR1DHTR1B
Cyclopropane Carboxylic Acid SCHEMBL19989732 0.78 DRD3 (0.48) DRD3DRD2DRD4HTR1DHTR1B
SCHEMBL7451185 0.77 DRD3 (0.55) DRD3DRD2DRD4HTR1DHTR1B

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
US-5708018-A 2-aminoindans as selective dopamine D3 ligands PHARMACIA & UPJOHN COMPANY (US) 1998-01-13 US disclosed