SCHEMBL8485264

SCHEMBL8485264

Cc1cc2c(C3CC3NC(=O)C(C)C)cccc2o1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.47
MTNR1B P49286 13/20 0.47
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL8487182 0.77 MTNR1A (0.39) MTNR1AMTNR1BSMN1; SMN2MEN1KMT2A
SCHEMBL8485260 0.75 MTNR1A (0.40) MTNR1AMTNR1BSMN1; SMN2MEN1NPC1
SCHEMBL8487261 0.73 SLC6A4 (0.36) MTNR1AMTNR1BMAPTALDH1A1TP53
SCHEMBL6677201 0.73 MTNR1B (0.65) MTNR1AMTNR1B
SCHEMBL6677207 0.73 MTNR1B (0.65) MTNR1AMTNR1B
Methyl Alcohol SCHEMBL27547344 0.72 MTNR1A (0.37) MTNR1AMTNR1B
SCHEMBL8487259 0.72 MTNR1A (0.36) MTNR1AMTNR1B
SCHEMBL27463661 0.72 MTNR1A (0.36) MTNR1AMTNR1B
SCHEMBL6677834 0.71 MTNR1B (0.66) MTNR1AMTNR1B
SCHEMBL6677838 0.71 MTNR1B (0.66) MTNR1AMTNR1B

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