SCHEMBL8488076

SCHEMBL8488076

CC1Cc2c(cccc2C2CC2C(C)C(C)C(N)=O)O1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 7/20 0.39
MTNR1A P48039 6/20 0.39
SLC9A1 P19634 1/20 0.36
PARP1 P09874 4/20 0.34
ALOX5 P09917 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAOA P21397 1/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31

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
SCHEMBL8486218 0.88 MTNR1B (0.40) MTNR1BMTNR1ASLC9A1PARP1ALOX5
SCHEMBL8484598 0.84 MTNR1B (0.41) MTNR1BMTNR1ASLC9A1PARP1MAOA
SCHEMBL8489602 0.81 MTNR1B (0.39) MTNR1BMTNR1ASLC9A1PARP1
SCHEMBL8489828 0.76 MGAM (0.46) ALOX5
SCHEMBL8487685 0.76 DRD2 (0.41) MTNR1BMTNR1ASLC9A1ALOX5
SCHEMBL6677463 0.75 MTNR1B (0.48) MTNR1BMTNR1AMAOA
SCHEMBL8489131 0.73 SLC9A1 (0.37) MTNR1BMTNR1ASLC9A1PARP1ALDH1A1
SCHEMBL6677849 0.72 MTNR1B (0.67) MTNR1BMTNR1A
SCHEMBL8488073 0.72 MTNR1B (0.41) MTNR1BMTNR1ASLC9A1ALDH1A1MAPT
SCHEMBL6677851 0.72 MTNR1B (0.67) MTNR1BMTNR1A

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