SCHEMBL7741198

SCHEMBL7741198

Cc1[nH]c2cccc3c2c1C(C(N)=O)CC3

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 5/20 0.43
SIRT2 Q8IXJ6 2/20 0.39
RECQL P46063 1/20 0.36
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM3 P20309 2/20 0.33
CHRM1 P11229 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CHRM2 P08172 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
PARP1 P09874 2/20 0.32
PARP2 Q9UGN5 1/20 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
SCHEMBL9729760 0.88 MTNR1A (0.35) SIRT1MTNR1AMTNR1BMGAMGAA
SCHEMBL9643588 0.81 MTNR1A (0.33) MTNR1AMTNR1BMGAMGAASI
SCHEMBL10430206 0.78 GAA (0.40) MTNR1AMTNR1BMGAMGAASI
SCHEMBL9642972 0.76 MTNR1A (0.34) MTNR1AMTNR1BMGAMGAASI
SCHEMBL9729975 0.76 SIRT1 (0.43) SIRT1SIRT2RECQLMTNR1AMTNR1B
SCHEMBL9642903 0.75 GAA (0.39) MTNR1AMTNR1BMGAMGAASI
SCHEMBL14628655 0.71 SIRT1 (0.44) SIRT1SIRT2RECQLGAAPARP1
SCHEMBL15129413 0.70 P2RX7 (0.42) SIRT1GAAPARP1
SCHEMBL16395306 0.70 P2RX7 (0.42) SIRT1GAAPARP1
SCHEMBL16395440 0.70 P2RX7 (0.42) SIRT1GAAPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423870-B1 ANTICOAGULANTS; CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS LES LABORATOIRES SERVIER (FR) 2002-07-23 US claimed
JP-2078660-A None JP disclosed
US-6423870-B1 ANTICOAGULANTS; CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS LES LABORATOIRES SERVIER (FR) 2002-07-23 US disclosed
US-5079258-A Enzyme inhibitors, antiallergens treatment of asthma BAYER AKTIENGESELLSCHAFT (DE) 1992-01-07 US disclosed
JP-H0278660-A TETRAHYDRO-1-BENZ-(C,D)-INDOLEPROPIONIC ACID SULFONAMIDES BAYER AG 1990-03-19 JP disclosed