SCHEMBL31330395

SCHEMBL31330395

Nc1ccc(N2CC3CCC(C2)N3C(=O)O)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.44
▸ CHRNA4 P43681 2/20 0.44
▸ GABRP O00591 2/20 0.39
▸ GABRD O14764 2/20 0.39
▸ GABRA1 P14867 2/20 0.39
▸ GABRB1 P18505 2/20 0.39
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 2/20 0.39
▸ GABRA5 P31644 2/20 0.39
▸ GABRA3 P34903 2/20 0.39
▸ GABRA2 P47869 2/20 0.39
▸ GABRB2 P47870 2/20 0.39
▸ GABRA4 P48169 2/20 0.39
▸ GABRE P78334 2/20 0.39
▸ GABRA6 Q16445 2/20 0.39
▸ GABRG1 Q8N1C3 2/20 0.39
▸ GABRG3 Q99928 2/20 0.39
▸ GABRQ Q9UN88 2/20 0.39
▸ TRPC6 Q9Y210 6/20 0.39
▸ NNMT P40261 1/20 0.36

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
SCHEMBL23089250 1.00 CHRNB2 (0.44) CHRNB2CHRNA4GABRPGABRDGABRA1
SCHEMBL30630187 0.91 CHRNB2 (0.47) CHRNB2CHRNA4GABRPGABRDGABRA1
SCHEMBL27676284 0.83 TRPC6 (0.43) CHRNB2CHRNA4GABRPGABRDGABRA1
SCHEMBL25191769 0.83 TRPC6 (0.43) CHRNB2CHRNA4GABRPGABRDGABRA1
SCHEMBL29736294 0.81 HDAC1 (0.52) HSD11B1
SCHEMBL12425406 0.81 RET (0.40) CHRNB2CHRNA4TRPC6
SCHEMBL2305956 0.81 HDAC1 (0.52) HSD11B1
SCHEMBL29644776 0.79 NOTUM (0.45) CHRNB2CHRNA4GABRPGABRDGABRA1
SCHEMBL23089380 0.79 MAPT (0.59) CHRNB2CHRNA4SMN1; SMN2CHRNB4CHRNA3
SCHEMBL1394162 0.78 CHRNB2 (0.42) CHRNB2CHRNA4GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119874700-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2025-04-25 — — CN disclosed
CN-114945366-B HPK1 antagonists and uses thereof 林伯士萨顿公司 2025-01-07 — — CN disclosed
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