SCHEMBL30833221

SCHEMBL30833221

Cn1ccnc1CN1[C@@H]2CC[C@H]1CC(N)C2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.40
DCPS Q96C86 1/20 0.34
FDPS P14324 1/20 0.34
ARG1 P05089 1/20 0.34
ARG2 P78540 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KAT2B Q92831 1/20 0.33
EGLN1 Q9GZT9 4/20 0.33
MAP4K4 O95819 2/20 0.32
SCN9A Q15858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LPO P22079 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL31622406 0.88 ARG1 (0.37) PTPN11FDPSARG1ARG2MEN1
Trifluoroacetic Acid SCHEMBL30201522 0.88 ARG1 (0.37) PTPN11FDPSARG1ARG2MEN1
SCHEMBL3959030 0.75 DCPS (0.47) DCPSARG1ARG2KAT2BEGLN1
Hydrochloric Acid SCHEMBL4600476 0.74 DCPS (0.47) DCPSARG1ARG2KAT2BEGLN1
Hydrochloric Acid SCHEMBL4600474 0.74 DCPS (0.47) DCPSARG1ARG2KAT2BEGLN1
SCHEMBL30833200 0.68 OPRK1 (0.37)
SCHEMBL30833230 0.68 JAK2 (0.41)
SCHEMBL17305900 0.68 EGLN1 (0.48) DCPSFDPSMEN1KMT2AKAT2B
SCHEMBL17996825 0.68 EGLN1 (0.48) DCPSFDPSMEN1KMT2AKAT2B
SCHEMBL2606179 0.67 DCPS (0.46) DCPSKAT2BEGLN1SCN9AL3MBTL1

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-117729914-A Serotonin 5-HT2B inhibiting compounds 硕腾服务有限责任公司 2024-03-19 CN disclosed