SCHEMBL9729975

SCHEMBL9729975

Cc1[nH]c2ccc(F)c3c2c1C(C(N)=O)CC3

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 16/20 0.43
SIRT2 Q8IXJ6 5/20 0.39
RECQL P46063 1/20 0.39
SIRT3 Q9NTG7 2/20 0.37
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
PARP1 P09874 2/20 0.32

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
SCHEMBL9730659 0.88 SIRT1 (0.38) SIRT1SIRT2RECQLMTNR1AMTNR1B
SCHEMBL9643988 0.81 MTNR1A (0.33) SIRT1SIRT2RECQLMTNR1AMTNR1B
SCHEMBL9644376 0.76 MTNR1A (0.33) MTNR1AMTNR1B
SCHEMBL7741198 0.76 SIRT1 (0.43) SIRT1SIRT2RECQLMTNR1AMTNR1B
SCHEMBL13960994 0.68 SIRT1 (0.57) SIRT1SIRT2RECQLSIRT3
SCHEMBL4725031 0.68 SIRT1 (0.63) SIRT1SIRT2RECQLSIRT3
SCHEMBL13960992 0.66 SIRT1 (0.59) SIRT1SIRT2RECQLSIRT3
SCHEMBL13960223 0.66 SIRT1 (0.59) SIRT1SIRT2RECQLSIRT3
SCHEMBL14915072 0.64 TRPM8 (0.46) SIRT1SIRT2
SCHEMBL9729760 0.64 MTNR1A (0.35) SIRT1MTNR1AMTNR1B

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-5079258-A Enzyme inhibitors, antiallergens treatment of asthma BAYER AKTIENGESELLSCHAFT (DE) 1992-01-07 US disclosed