SCHEMBL29150577

SCHEMBL29150577

Nc1ccc(N2CC[CH]CC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.40
CHRNA4 P43681 4/20 0.40
GCK P35557 2/20 0.39
TRPC6 Q9Y210 3/20 0.38
GCKR Q14397 1/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
MAPT P10636 1/20 0.37
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
DHFR P00374 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SUV39H2 Q9H5I1 1/20 0.36
RPS6KA3 P51812 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL13779836 0.84 MAPT (0.50) CHRNB2CHRNA4GCKMAPTPIK3CA
SCHEMBL29883782 0.84 MAPT (0.50) CHRNB2CHRNA4GCKMAPTPIK3CA
SCHEMBL3367822 0.84 CHRNB2 (0.47) CHRNB2CHRNA4GCKTRPC6GCKR
SCHEMBL29353249 0.82 MAPT (0.53) CHRNB2CHRNA4GCKMAPTKDM4E
SCHEMBL823334 0.82 MAPT (0.53) CHRNB2CHRNA4GCKMAPTKDM4E
SCHEMBL28829278 0.82 CHRNB2 (0.42) CHRNB2CHRNA4GCKTRPC6GCKR
SCHEMBL18053899 0.81 PIK3CA (0.42) CHRNB2CHRNA4GCKTRPC6GCKR
SCHEMBL22112923 0.80 KDM4E (0.47) CHRNB2CHRNA4GCKTRPC6GCKR
SCHEMBL521049 0.79 PIK3CA (0.56) MAPTPIK3R1PIK3CAMTORDHFR
SCHEMBL521324 0.79 MAPT (0.58) MAPTPIK3CAMTORKDM4ERPS6KA3

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-117295737-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2023-12-26 CN disclosed