SCHEMBL3415420

SCHEMBL3415420

Cc1ccc(C(CNC2=NCCO2)c2cccc(Cl)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.41
ADRA1A P35348 2/20 0.41
CFB P00751 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
AOC3 Q16853 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
S1PR1 P21453 1/20 0.32

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 0.92 CFB (0.39) ADRA2ACFBTAAR1OPRM1OPRD1
SCHEMBL3668500 0.87 CFB (0.35) ADRA2AADRA1ACFBTAAR1OPRM1
SCHEMBL3433522 0.84 CFB (0.41) ADRA2AADRA1ACFBTAAR1OPRM1
SCHEMBL3672607 0.84 P2RX7 (0.35) ADRA2ACFBTAAR1ADRB2ADRB1
SCHEMBL3414425 0.81 TAAR1 (0.44) ADRA2AADRA1ACFBTAAR1TP53
SCHEMBL3671172 0.81 CFB (0.36) ADRA2AADRA1ACFBTAAR1ADRB2
SCHEMBL3415102 0.80 CFB (0.34) ADRA2ACFBTAAR1MAPTADRB2
SCHEMBL3668515 0.79 CFB (0.33) ADRA2AADRA1ACFBTAAR1ADRB2
SCHEMBL3671371 0.78 KCNA5 (0.33) CFBADRB2ADRB1ADRB3
SCHEMBL3414412 0.77 LMNA (0.42) TAAR1OPRM1OPRD1OPRK1OPRL1

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-2265269-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF Allergan, Inc. (US) 2010-12-29 EP disclosed
WO-2009120648-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-10-01 WO disclosed