SCHEMBL30892245

SCHEMBL30892245

BrCCC1CCc2ccc3c(c21)CCO3

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.62
MTNR1B P49286 11/20 0.62
ABCB11 O95342 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
USP2 O75604 1/20 0.59
HTR2C P28335 9/20 0.38
HTR2A P28223 7/20 0.38
HTR2B P41595 4/20 0.38

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
SCHEMBL11917773 0.85 MTNR1A (0.62) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL12056685 0.85 MTNR1A (0.67) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL28357968 0.85 MTNR1A (0.65) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL340075 0.85 MTNR1A (0.62) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL12394492 0.85 MTNR1A (0.62) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL28361707 0.85 MTNR1A (0.65) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL340076 0.85 MTNR1A (0.62) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL805875 0.84 MTNR1A (0.71) MTNR1AMTNR1BABCB11SIGMAR1USP2
Hydrochloric Acid SCHEMBL339855 0.84 MTNR1A (0.60) MTNR1AMTNR1BABCB11SIGMAR1USP2
Hydrochloric Acid SCHEMBL339856 0.84 MTNR1A (0.60) MTNR1AMTNR1BABCB11SIGMAR1USP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117946050-A Preparation method of ramelteon impurity dimer 湖南慧泽生物医药科技有限公司 2024-04-30 CN disclosed
CN-117946050-A Preparation method of ramelteon impurity dimer 湖南慧泽生物医药科技有限公司 2024-04-30 CN disclosed