SCHEMBL7534871

SCHEMBL7534871

c1ccc(-c2cc3c(cc2C2=NCCN2)CCCC3)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 15/20 0.64
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44

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
SCHEMBL7540279 0.85 LMNA (0.58) NISCHADRA2AADRA2BADRA2C
SCHEMBL7539966 0.85 NISCH (0.59) NISCHADRA2AADRA2BADRA2C
SCHEMBL7534909 0.82 NISCH (0.62) NISCHALDH1A1ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL8207897 0.78 ADRA2A (0.47) NISCHADRA2AADRA2BADRA2C
SCHEMBL105024 0.74 NISCH (1.00) NISCHGAATSHRALDH1A1CYP1A2
Bromide SCHEMBL29039569 0.73 NISCH (0.96) NISCHGAATSHRALDH1A1CYP1A2
SCHEMBL28772851 0.73 NISCH (0.96) NISCHGAATSHRALDH1A1CYP1A2
Ammonia Solution, Strong SCHEMBL7104964 0.73 NISCH (0.96) NISCHGAATSHRALDH1A1CYP1A2
SCHEMBL6746742 0.72 NISCH (0.80) NISCHGAATSHRALDH1A1CYP1A2
SCHEMBL9579892 0.72 NISCH (0.81) NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204644-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2000078725-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed
WO-2000078724-A2 IMIDAZOLINDERIVATIVES THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed
EP-0853680-A4 METHOD FOR PRECIPITATING NUCLEIC ACID WITH VISIBLE CARRIER NOVAGEN INC (US) 2000-09-13 EP disclosed
EP-0853680-A1 METHOD FOR PRECIPITATING NUCLEIC ACID WITH VISIBLE CARRIER NOVAGEN, INC. (US) 1998-07-22 EP disclosed
WO-1997012994-A1 METHOD FOR PRECIPITATING NUCLEIC ACID WITH VISIBLE CARRIER NOVAGEN, INC. (US) 1997-04-10 WO disclosed