SCHEMBL3671371

SCHEMBL3671371

Fc1ncccc1C(CNC1=NCCO1)c1cccc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.33
ADRB2 P07550 2/20 0.32
ADRB1 P08588 2/20 0.32
ADRB3 P13945 2/20 0.32
CFB P00751 1/20 0.31
POLB P06746 2/20 0.31
FAAH O00519 1/20 0.30
MAP4K1 Q92918 1/20 0.30

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
SCHEMBL3414027 0.83 CFB (0.39) ADRB2ADRB1ADRB3CFBFAAH
SCHEMBL3415102 0.83 CFB (0.34) ADRB2ADRB1ADRB3CFBFAAH
SCHEMBL3433522 0.83 CFB (0.41) ADRB2ADRB1ADRB3CFBFAAH
SCHEMBL3414425 0.82 TAAR1 (0.44) ADRB2ADRB1ADRB3CFB
SCHEMBL3672607 0.79 P2RX7 (0.35) KCNA5ADRB2ADRB1ADRB3CFB
SCHEMBL3415420 0.78 ADRA2A (0.41) ADRB2ADRB1ADRB3CFB
SCHEMBL3671172 0.78 CFB (0.36) ADRB2ADRB1ADRB3CFBPOLB
SCHEMBL3411857 0.77 CFB (0.36) CFBMAP4K1
SCHEMBL3668515 0.76 CFB (0.33) ADRB2ADRB1ADRB3CFB
SCHEMBL1157462 0.75 KCNA5 (0.35) KCNA5CFBMAP4K1

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-2242753-A1 OXAZOLIDINE AND THIAZOLIDINE SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2010-10-27 EP disclosed
WO-2009091760-A1 OXAZOLIDINE AND THIAZOLIDINE SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-07-23 WO disclosed