SCHEMBL30630187

SCHEMBL30630187

Nc1ccc(N2CC3CC(C2)N3C(=O)O)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.47
▸ CHRNA4 P43681 2/20 0.47
▸ 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
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37

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 0.91 CHRNB2 (0.44) CHRNB2CHRNA4GABRPGABRDGABRA1
SCHEMBL31330395 0.91 CHRNB2 (0.44) CHRNB2CHRNA4GABRPGABRDGABRA1
SCHEMBL27676284 0.83 TRPC6 (0.43) CHRNB2CHRNA4GABRPGABRDGABRA1
SCHEMBL25191769 0.83 TRPC6 (0.43) CHRNB2CHRNA4GABRPGABRDGABRA1
SCHEMBL24746050 0.81 HDAC1 (0.45) CHRNB2CHRNA4
SCHEMBL29891180 0.81 HDAC1 (0.45) CHRNB2CHRNA4
SCHEMBL29644776 0.79 NOTUM (0.45) CHRNB2CHRNA4GABRPGABRDGABRA1
SCHEMBL29813774 0.79 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL1394162 0.78 CHRNB2 (0.42) CHRNB2CHRNA4GABRPGABRDGABRA1
SCHEMBL16872560 0.76 CHRNB2 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117120090-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2023-11-24 — — CN disclosed
Send feedback