SCHEMBL30910141

SCHEMBL30910141

CC(C)CN1CCNc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.41
PIM1 P11309 1/20 0.38
BRD4 O60885 1/20 0.38
MMP2 P08253 2/20 0.37
MMP9 P14780 1/20 0.37
ADAM17 P78536 1/20 0.37
BRPF1 P55201 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 1/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B3 P37058 1/20 0.35
ALOX12 P18054 1/20 0.35
PER2 O15055 1/20 0.35
AVPR2 P30518 1/20 0.34
MAPK1 P28482 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 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
SCHEMBL26089588 1.00 AVPR1A (0.41) AVPR1APIM1BRD4MMP2MMP9
SCHEMBL27506539 0.90 AVPR1A (0.40) AVPR1APIM1BRD4MMP2MMP9
SCHEMBL4793671 0.81 BRD4 (0.41) AVPR1APIM1BRD4BRPF1MEN1
SCHEMBL14497763 0.78 MEN1 (0.49) AVPR1APIM1BRD4BRPF1MEN1
SCHEMBL28833095 0.77 EPHX2 (0.38) AVPR1APIM1BRD4MMP2BRPF1
SCHEMBL28187925 0.77 AVPR1A (0.44) AVPR1APIM1BRD4MMP2MMP9
SCHEMBL26946539 0.77 PIM1 (0.38) AVPR1APIM1BRD4BRPF1MEN1
SCHEMBL30910112 0.76 EPHX2 (0.55) AVPR1ABRD4MEN1KMT2AEPHX2
SCHEMBL6419724 0.76 EPHX2 (0.55) AVPR1ABRD4MEN1KMT2AEPHX2
SCHEMBL30910110 0.76 EPHX2 (0.55) AVPR1ABRD4MEN1KMT2AEPHX2

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-118119612-A Novel compounds and pharmaceutical compositions comprising the same 萨皮恩斯生物有限公司 2024-05-31 CN disclosed