SCHEMBL8546015

SCHEMBL8546015

NCc1cc(-c2ccccc2)cc(CN)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.48
NOTUM Q6P988 3/20 0.41
ALDH1A1 P00352 1/20 0.41
DPP4 P27487 2/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CYP19A1 P11511 1/20 0.38
MAOA P21397 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
PRKCZ Q05513 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
CSNK2A1 P68400 1/20 0.37
BACE1 P56817 1/20 0.37
CYP3A4 P08684 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL16414214 0.88 MEN1 (0.49) TAAR1NOTUMALDH1A1ADORA2AADORA1
SCHEMBL28289811 0.82 POLB (0.35) TAAR1NOTUMALDH1A1LOXL2CYP19A1
SCHEMBL2111804 0.77 PLAU (0.47) TAAR1NOTUMLOXL2MAOA
SCHEMBL2410720 0.72 L3MBTL1 (0.40) ALDH1A1CYP19A1MEN1KMT2AHSD17B10
SCHEMBL30972501 0.71 TAAR1 (0.65) TAAR1ALDH1A1DPP4LOXL2CHRNB2
Biphenyl SCHEMBL21932883 0.71 ALDH1A1 (0.69) TAAR1NOTUMALDH1A1DPP4LOXL2
SCHEMBL23706013 0.70 CLK4 (0.51) TAAR1ADORA2AADORA1LOXL2CYP19A1
SCHEMBL1239870 0.70 MEN1 (0.60) TAAR1NOTUMALDH1A1ADORA2AADORA1
SCHEMBL12551311 0.70 ASIC3 (0.54) ALDH1A1ADORA2AADORA1CYP19A1MEN1
SCHEMBL10133262 0.70 TAAR1 (0.50) TAAR1DPP4LOXL2CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525825-B1 Substituted dicarboxy pyridine compounds EG & G WALLAC OY (FI) 1998-12-09 EP disclosed
EP-0272320-B1 HOMOGENEOUS FLUOROASSAY METHODS EMPLOYING FLUORESCENT BACKGROUND REJECTION BAXTER DIAGNOSTICS INC (US) 1994-03-23 EP disclosed
EP-0195413-B1 Substituted pyridine derivatives BAXTER DIAGNOSTICS INC (US) 1993-11-18 EP disclosed
EP-0525825-A2 Substituted dicarboxy pyridine compounds Dade MicroScan Inc. (US) 1993-02-03 EP disclosed
EP-0272320-A4 HOMOGENEOUS FLUOROASSAY METHODS EMPLOYING FLUORESCENT BACKGROUND REJECTION. BAXTER TRAVENOL LAB (US) 1989-08-09 EP disclosed
EP-0272320-A1 HOMOGENEOUS FLUOROASSAY METHODS EMPLOYING FLUORESCENT BACKGROUND REJECTION. BAXTER TRAVENOL LAB (US) 1988-06-29 EP disclosed
WO-1987007955-A1 HOMOGENEOUS FLUOROASSAY METHODS EMPLOYING FLUORESCENT BACKGROUND REJECTION AND WATER-SOLUBLE RARE EARTH METAL CHELATE FLUOROPHORES BAXTER TRAVENOL LABORATORIES, INC. (US) 1987-12-30 WO disclosed
EP-0195413-A2 Substituted pyridine derivatives Baxter Diagnostics Inc. (US) 1986-09-24 EP disclosed