SCHEMBL8317510

SCHEMBL8317510

O=C1Cc2c(ccc3c2OC(CO)CC3)N1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.64
DRD3 P35462 5/20 0.64
DRD4 P21917 4/20 0.64
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
SLC6A4 P31645 8/20 0.40
ADRA1D P25100 4/20 0.40
ADRA1A P35348 4/20 0.40
ADRA1B P35368 4/20 0.40
HTR2A P28223 2/20 0.35
HTR2B P41595 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALPG P10696 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CMA1 P23946 2/20 0.34
AHR P35869 2/20 0.34
CREBBP Q92793 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33

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
SCHEMBL8643128 0.87 DRD2 (0.64) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL8312005 0.78 DRD2 (1.00) DRD2DRD3DRD4
SCHEMBL8313621 0.77 DRD2 (0.53) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL8312627 0.77 DRD2 (0.81) DRD2DRD3DRD4
SCHEMBL8314369 0.77 DRD2 (0.81) DRD2DRD3DRD4
SCHEMBL8314007 0.77 DRD2 (0.81) DRD2DRD3DRD4SLC6A4HTR2A
SCHEMBL3026960 0.76 DRD2 (0.42) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL3032121 0.76 DRD2 (0.42) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL6082416 0.76 DRD2 (0.38) DRD2DRD3DRD4HTR1D
Water SCHEMBL3032078 0.75 DRD2 (0.41) DRD2DRD3DRD4HTR1DHTR1B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9169764-A None JP disclosed
EP-0771801-B1 Chromane derivatives AMERICAN HOME PROD (US) 1999-03-03 EP disclosed
US-5750556-A REDUCING DOPAMINE SYNTHESIS AND RELEASE, SCHIZOPHRENIA AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-12 US disclosed
JP-H09169764-A 2-(AMINOMETHYL)-3,4,7,9-TETRAHYDRO-2H-PYRANO(2,3-E) INDOL-8-ONE AND DERIVATIVE OF THE SAME AMERICAN HOME PROD CORP 1997-06-30 JP disclosed
EP-0771801-A1 Chromane derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1997-05-07 EP disclosed