SCHEMBL8487182

SCHEMBL8487182

Cc1cc2c(C3CC3C(C)C(N)=O)cccc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.39
MTNR1B P49286 7/20 0.39
ALOX5 P09917 5/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NR3C2 P08235 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
CSNK2A2 P19784 1/20 0.31
PTGS1 P23219 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK2A3 Q8NEV1 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL8485260 0.86 MTNR1A (0.40) MTNR1AMTNR1BALOX5MEN1KMT2A
SCHEMBL8489168 0.80 SLC6A4 (0.39) MTNR1AMTNR1BALOX5
SCHEMBL8485264 0.77 MTNR1A (0.47) MTNR1AMTNR1BMEN1KMT2AMAPT
SCHEMBL8487261 0.74 SLC6A4 (0.36) MTNR1AMTNR1BCYP1A1CYP1A2CYP1B1
Methyl Alcohol SCHEMBL27547344 0.73 MTNR1A (0.37) MTNR1AMTNR1BCYP1A1CYP1A2CYP1B1
Methylamine SCHEMBL27481947 0.73 MTNR1A (0.34) MTNR1AMTNR1BCYP1A1CYP1A2CYP1B1
SCHEMBL8487259 0.73 MTNR1A (0.36) MTNR1AMTNR1BCYP1A1CYP1A2CYP1B1
SCHEMBL27463661 0.73 MTNR1A (0.36) MTNR1AMTNR1BCYP1A1CYP1A2CYP1B1
SCHEMBL6682734 0.72 HTR2C (0.54)
SCHEMBL8331072 0.72 HTR2C (0.47) ALOX5MEN1KMT2AKDM4EGAA

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