SCHEMBL25733802

SCHEMBL25733802

C/C=C\C(=C/CC)c1nccc(OC)n1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
LOX P28300 1/20 0.30
LOXL2 Q9Y4K0 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
SCHEMBL20748682 0.79
SCHEMBL23676643 0.70
SCHEMBL26343145 0.70 MEN1 (0.36)
SCHEMBL27884234 0.69 MTNR1A (0.43) MTNR1AMTNR1BTAAR1LOXLOXL2
SCHEMBL20748672 0.68
SCHEMBL22436259 0.67 TAAR1 (0.38) MTNR1AMTNR1BTAAR1LOXLOXL2
SCHEMBL1324299 0.67 CYP1A2 (0.45) MTNR1AMTNR1B
SCHEMBL31403767 0.66 MTNR1A (0.47) MTNR1AMTNR1B
SCHEMBL2723992 0.66 KMO (0.50) MTNR1AMTNR1B
SCHEMBL882971 0.66 MTNR1A (0.47) 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
WO-2023107552-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed