SCHEMBL24005992

SCHEMBL24005992

CC(C)c1cnccc1C1COCCN1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.35
CHRNB4 P30926 4/20 0.34
CHRNA3 P32297 4/20 0.34
CHRNB2 P17787 4/20 0.34
CHRNA4 P43681 4/20 0.34
CHRNA7 P36544 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CHRNA2 Q15822 2/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
PSIP1 O75475 1/20 0.34
TRPA1 O75762 1/20 0.34
HTR3B O95264 1/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
MAPT P10636 1/20 0.34
CHRNB1 P11230 1/20 0.34
CYP2A6 P11509 1/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL25628790 0.85 KCNA5 (0.31) KCNA5KCNH2PIK3C3NUDT1
SCHEMBL25613583 0.83 KCNA5 (0.32) KCNA5KCNH2
SCHEMBL24005468 0.80 ACHE (0.38) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL24005540 0.80 CHRNB4 (0.38) ATRCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4293001 0.71 CHRNB2 (0.61) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL20314858 0.68 IDO1 (0.39) CHRNB2CHRNA4
SCHEMBL15990663 0.67 ATR (0.53) ATRCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL15786730 0.67 ATR (0.53) ATRCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL25478279 0.66 ADRB2 (0.36) MAPTCYP2A13KCNA5PIK3C3
SCHEMBL15999386 0.65 MAPT (0.44) MAPTKCNA5KCNH2

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
WO-2021223736-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2021-11-11 WO disclosed