SCHEMBL29195512

SCHEMBL29195512

Cc1cc(N)cc(N2CCC(=C(F)F)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 4/20 0.55
▸ GRIN3B O60391 4/20 0.55
▸ CHRM1 P11229 4/20 0.55
▸ ADRA1D P25100 4/20 0.55
▸ ADRA1A P35348 4/20 0.55
▸ ADRA1B P35368 4/20 0.55
▸ GRIN1 Q05586 4/20 0.55
▸ GRIN2A Q12879 4/20 0.55
▸ GRIN2B Q13224 4/20 0.55
▸ GRIN2C Q14957 4/20 0.55
▸ GRIN3A Q8TCU5 4/20 0.55
▸ CRHBP P24387 2/20 0.43
▸ CRHR2 Q13324 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPT P10636 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ ADORA2A P29274 2/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ KMT2A Q03164 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
SCHEMBL29195509 0.83 GRIN2D (0.53) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL20689407 0.79 CRHBP (0.66) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL21238774 0.77 CRHBP (0.69) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL24815805 0.76 KMT2A (0.41) MAPTKMT2AGBA1KDM4EALDH1A1
SCHEMBL18277835 0.76 GRIN2D (0.57) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL22148686 0.75 GRIN2D (0.50) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL24817000 0.72 ALDH1A1 (0.39) SMN1; SMN2MAPTALDH1A1NPSR1
SCHEMBL6440936 0.71 GRIN2D (1.00) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL20697275 0.70 HRH4 (0.48) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL24816957 0.69 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-117917405-A KIF18A protein inhibitors 杭州邦顺制药有限公司 2024-04-23 — — CN disclosed
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