SCHEMBL8887689

SCHEMBL8887689

[CH2]C1Cc2cc(F)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.40
HTR2A P28223 2/20 0.40
MLNR O43193 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
KCNE1 P15382 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CNR1 P21554 1/20 0.40
SLC6A2 P23975 1/20 0.40
NPY1R P25929 1/20 0.40
HTR2C P28335 1/20 0.40
AVPR2 P30518 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40

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
SCHEMBL15740414 0.78 PNMT (0.41) HTR2AHTR2CHTR2BHRH3CHRNB2
SCHEMBL908349 0.78 DRD2 (0.38) DRD2HTR2AMLNRADRB2ADRB1
SCHEMBL15724653 0.77 TDP1 (0.56) DRD2HTR2AMLNRADRB2ADRB1
SCHEMBL15749929 0.77 TDP1 (0.56) DRD2HTR2AMLNRADRB2ADRB1
SCHEMBL19894308 0.75 DRD2 (0.35) DRD2HTR2AACHE
SCHEMBL17193927 0.73 AKR1B1 (0.46) DRD2HTR2AMLNRADRB2ADRB1
SCHEMBL4225298 0.73 HRH3 (0.40) DRD2HTR2AMLNRADRB2ADRB1
SCHEMBL18469563 0.73 AKR1B1 (0.45) DRD2HTR2AMLNRADRB2ADRB1
SCHEMBL20665136 0.73 HTR2A (0.47) DRD2HTR2AMLNRADRB2ADRB1
SCHEMBL4225302 0.73 HRH3 (0.40) DRD2HTR2AMLNRADRB2ADRB1

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-5691340-A CENTRAL NERVOUS SYSTEM DISORDERS, STROKES, CARDIOVASCULAR DISORDERS, ALZHEIMER*S DISEASE OR ANTIINFLAMMATORY AGENTS ADIR ET COMPAGNIE (FR) 1997-11-25 US disclosed