SCHEMBL8489071

SCHEMBL8489071

[CH2]C1CC1c1cccc2c1CCO2

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.53
MTNR1B P49286 1/20 0.52
SLC9A5 Q14940 1/20 0.45
SLC9A2 Q9UBY0 1/20 0.45
HTR2A P28223 9/20 0.39
DRD2 P14416 4/20 0.39
DRD3 P35462 4/20 0.39
KIF11 P52732 1/20 0.37
HTR2C P28335 7/20 0.36
HTR2B P41595 5/20 0.36

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
SCHEMBL8489075 0.83 MTNR1B (0.56) SLC9A1MTNR1BSLC9A5SLC9A2HTR2A
SCHEMBL19699401 0.81 SLC9A1 (0.52) SLC9A1MTNR1BSLC9A5SLC9A2HTR2A
SCHEMBL6682308 0.81 SLC9A1 (0.52) SLC9A1MTNR1BSLC9A5SLC9A2HTR2A
SCHEMBL6678123 0.81 SLC9A1 (0.52) SLC9A1MTNR1BSLC9A5SLC9A2HTR2A
SCHEMBL6681968 0.80 MTNR1B (0.64) SLC9A1MTNR1BSLC9A5SLC9A2HTR2A
SCHEMBL7701623 0.80 MTNR1B (0.64) SLC9A1MTNR1BSLC9A5SLC9A2HTR2A
SCHEMBL19699403 0.80 MTNR1B (0.64) SLC9A1MTNR1BSLC9A5SLC9A2HTR2A
SCHEMBL6680857 0.80 MTNR1B (0.64) SLC9A1MTNR1BSLC9A5SLC9A2HTR2A
SCHEMBL6682129 0.79 MTNR1B (0.59) SLC9A1MTNR1BHTR2AHTR2CHTR2B
SCHEMBL17020523 0.79 MTNR1B (0.59) SLC9A1MTNR1BHTR2AHTR2CHTR2B

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-5856529-A ADJUSTMENT OF NERVOUS SYSTEM, ENDOCRINE FUNCTION; REPRODUCTION, BODY WEIGHT AND METABOLISM BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-05 US disclosed