SCHEMBL23735310

SCHEMBL23735310

Bc1cc(C)c2c(c1)CCNC2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNMT P11086 10/20 0.46
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
CD44 P16070 1/20 0.36
MAOB P27338 1/20 0.36
ASIC3 Q9UHC3 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
SCHEMBL19684575 0.82 PNMT (0.47) PNMTADRA2AADRA2BADRA2CCD44
SCHEMBL19684577 0.79 PNMT (0.50) PNMTADRA2AADRA2BADRA2CCD44
SCHEMBL19684576 0.79 PNMT (0.53) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL19684582 0.79 PNMT (0.44) PNMTADRA2AADRA2BADRA2CCD44
SCHEMBL15503204 0.79 PNMT (0.49) PNMTADRA2AADRA2BADRA2C
Bromide SCHEMBL15515105 0.78 PNMT (0.47) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL29216547 0.78 PNMT (0.49) PNMTADRA2AADRA2BADRA2CCD44
SCHEMBL19684534 0.77 PNMT (0.42) PNMTADRA2AADRA2BADRA2CCD44
SCHEMBL15502998 0.77 PNMT (0.42) PNMTADRA2AADRA2BADRA2C
SCHEMBL20892025 0.77 PNMT (0.42) PNMTADRA2AADRA2BADRA2CCD44

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
EP-3464249-B1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2021-08-11 EP disclosed