SCHEMBL7551545

SCHEMBL7551545

[AsH2]C1Cc2ccc(Br)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PNMT P11086 12/20 0.48
ADRA2A P08913 4/20 0.48
ADRA2B P18089 3/20 0.48
ADRA2C P18825 3/20 0.48
ASIC3 Q9UHC3 1/20 0.39
KDM1A O60341 2/20 0.39

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
SCHEMBL7551539 1.00 PNMT (0.48) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL3748263 0.84 PNMT (0.45) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL13631383 0.77 PNMT (0.58) PNMTADRA2AADRA2BADRA2CKDM1A
SCHEMBL25800726 0.77 PNMT (0.58) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL6839690 0.77 PNMT (0.58) PNMTADRA2AADRA2BADRA2CKDM1A
SCHEMBL419457 0.77 CA1 (0.50) PNMTADRA2AADRA2BADRA2CKDM1A
SCHEMBL615229 0.77 CA1 (0.50) PNMTADRA2AADRA2BADRA2CKDM1A
SCHEMBL13227654 0.77 PNMT (0.49) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL419456 0.77 CA1 (0.50) PNMTADRA2AADRA2BADRA2CKDM1A
Hydrochloric Acid SCHEMBL22092770 0.76 CA1 (0.52) PNMTADRA2AADRA2BADRA2CKDM1A

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-1259484-A1 CARBOXAMIDES USEFUL AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND OF APOLIPOPROTEIN B SECRETION Novartis AG (CH) 2002-11-27 EP disclosed
WO-2001053260-A1 CARBOXAMIDES USEFUL AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND OF APOLIPOPROTEIN B SECRETION NOVARTIS AG (CH) 2001-07-26 WO disclosed