SCHEMBL28092526

SCHEMBL28092526

C=C(OC)C(=O)O.O=C(O)N1CCNc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.47
THRB P10828 1/20 0.41
HSD11B1 P28845 1/20 0.40
GPBAR1 Q8TDU6 2/20 0.40
HSD17B3 P37058 1/20 0.39
AVPR2 P30518 1/20 0.38
BRD4 O60885 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GPR6 P46095 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3663893 0.85 AVPR1A (0.56) AVPR1ATHRBHSD11B1GPBAR1HSD17B3
SCHEMBL29941296 0.85 AVPR1A (0.56) AVPR1ATHRBHSD11B1GPBAR1HSD17B3
SCHEMBL28092524 0.81 AVPR1A (0.46) AVPR1ATHRBHSD11B1GPBAR1HSD17B3
SCHEMBL3972182 0.76 AVPR1A (0.50) AVPR1AHSD11B1GPBAR1HSD17B3AVPR2
SCHEMBL30529514 0.74 HSD17B3 (0.60) AVPR1AHSD11B1GPBAR1HSD17B3AVPR2
SCHEMBL2331511 0.74 AVPR1A (0.55) AVPR1ATHRBHSD11B1GPBAR1HSD17B3
SCHEMBL30673672 0.74 AVPR1A (0.55) AVPR1ATHRBHSD11B1GPBAR1HSD17B3
SCHEMBL3115822 0.74 HSD17B3 (0.60) AVPR1AHSD11B1GPBAR1HSD17B3AVPR2
SCHEMBL7368183 0.74 AVPR1A (0.54) AVPR1ATHRBHSD11B1GPBAR1HSD17B3
SCHEMBL30379071 0.72 HTT (0.57) AVPR1AHSD11B1GPBAR1HSD17B3AVPR2

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
CN-106029076-A Benzopiperazine compositions as BET bromodomain inhibitors 福马疗法公司 2016-10-12 CN claimed