SCHEMBL31336037

SCHEMBL31336037

CC1Cc2ccc(Br)cc2CN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PNMT P11086 14/20 1.00
ADRA2A P08913 5/20 1.00
ADRA2B P18089 4/20 1.00
ADRA2C P18825 4/20 1.00

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
SCHEMBL2514114 1.00 PNMT (1.00) PNMTADRA2AADRA2BADRA2C
SCHEMBL12280123 1.00 PNMT (1.00) PNMTADRA2AADRA2BADRA2C
SCHEMBL12280066 1.00 PNMT (1.00) PNMTADRA2AADRA2BADRA2C
Iodide SCHEMBL2513362 0.98 PNMT (0.96) PNMTADRA2AADRA2BADRA2C
SCHEMBL30098010 0.93 PNMT (0.86) PNMTADRA2AADRA2BADRA2C
SCHEMBL20909872 0.79 PNMT (0.66) PNMTADRA2AADRA2BADRA2C
SCHEMBL8648256 0.78 PNMT (0.64) PNMTADRA2AADRA2BADRA2C
SCHEMBL5678366 0.78 PNMT (0.64) PNMTADRA2AADRA2BADRA2C
SCHEMBL12168266 0.78 PNMT (0.64) PNMTADRA2AADRA2BADRA2C
SCHEMBL7516995 0.78 PNMT (0.64) PNMTADRA2AADRA2BADRA2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 WO disclosed