SCHEMBL25937281

SCHEMBL25937281

NCC(=O)N1CCNc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.52
THRB P10828 1/20 0.44
HSD11B1 P28845 2/20 0.44
HSD17B3 P37058 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
CASP3 P42574 1/20 0.42
CASP2 P42575 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
AVPR2 P30518 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP2 P08253 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL22049116 0.86 AVPR1A (0.54) AVPR1ATHRBHSD11B1HSD17B3GPBAR1
SCHEMBL2331511 0.83 AVPR1A (0.55) AVPR1ATHRBHSD11B1HSD17B3GPBAR1
SCHEMBL30673672 0.83 AVPR1A (0.55) AVPR1ATHRBHSD11B1HSD17B3GPBAR1
SCHEMBL30910105 0.82 AVPR1A (0.51) AVPR1ATHRBHSD11B1HSD17B3GPBAR1
SCHEMBL30673903 0.82 AVPR1A (0.51) AVPR1ATHRBHSD11B1HSD17B3GPBAR1
SCHEMBL26092817 0.82 AVPR1A (0.51) AVPR1ATHRBHSD11B1HSD17B3GPBAR1
SCHEMBL26093057 0.82 AVPR1A (0.51) AVPR1ATHRBHSD11B1HSD17B3GPBAR1
SCHEMBL29941296 0.81 AVPR1A (0.56) AVPR1ATHRBHSD11B1HSD17B3GPBAR1
SCHEMBL3663893 0.81 AVPR1A (0.56) AVPR1ATHRBHSD11B1HSD17B3GPBAR1
SCHEMBL3115822 0.80 HSD17B3 (0.60) AVPR1AHSD11B1HSD17B3GPBAR1GAA

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-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 WO disclosed