SCHEMBL9030516

SCHEMBL9030516

COC(=O)c1ccccc1CCC(N)=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.73
LMNA P02545 2/20 0.73
HSD17B10 Q99714 2/20 0.51
CFTR P13569 1/20 0.51
TSHR P16473 2/20 0.49
KMT2A Q03164 2/20 0.47
MTNR1A P48039 1/20 0.47
HIF1A Q16665 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
CA9 Q16790 1/20 0.46
KDM4E B2RXH2 3/20 0.46
POLB P06746 2/20 0.46
ATM Q13315 1/20 0.46
SIRT1 Q96EB6 1/20 0.45
GLA P06280 1/20 0.44
DHODH Q02127 1/20 0.44
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL8412585 0.86 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10CFTRTSHR
SCHEMBL10360804 0.86 ALDH1A1 (0.77) ALDH1A1LMNAHSD17B10CFTRTSHR
SCHEMBL8877393 0.85 ALDH1A1 (1.00) ALDH1A1LMNAHSD17B10CFTRTSHR
SCHEMBL2439695 0.85 ALDH1A1 (0.76) ALDH1A1LMNAHSD17B10CFTRTSHR
SCHEMBL27552 0.85 ALDH1A1 (0.76) ALDH1A1LMNAHSD17B10CFTRTSHR
SCHEMBL4739142 0.83 ALDH1A1 (0.68) ALDH1A1LMNAHSD17B10CFTRTSHR
SCHEMBL4430933 0.83 ALDH1A1 (0.58) ALDH1A1LMNAHSD17B10CFTRTSHR
SCHEMBL21505498 0.82 ALDH1A1 (0.71) ALDH1A1LMNAHSD17B10CFTRTSHR
SCHEMBL8746196 0.82 ALDH1A1 (0.71) ALDH1A1LMNAHSD17B10CFTRTSHR
SCHEMBL9383821 0.82 ALDH1A1 (0.71) ALDH1A1LMNAHSD17B10CFTRTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0444924-B1 Fused 7-membered cyclic compound and antipsychotic preparation containing the same SUNTORY LTD (JP) 1996-01-03 EP disclosed
US-5312625-A Fused 7-membered cyclic compound and antipsychotic preparation containing the same SUNTORY LIMITED (JP) 1994-05-17 US disclosed
EP-0444924-A1 Fused 7-membered cyclic compound and antipsychotic preparation containing the same SUNTORY LIMITED (JP) 1991-09-04 EP disclosed