SCHEMBL5664871

SCHEMBL5664871

CCN(CC)C(=O)C(NCc1ccc2nc(N)ccc2c1)c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 3/20 0.38
▸ NOS1 P29475 7/20 0.37
▸ HDAC3 O15379 1/20 0.35
▸ TEC P42680 1/20 0.34
▸ ADORA2A P29274 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33

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
SCHEMBL5664866 0.89 KLKB1 (0.40) HDAC3LMNAPOLBTSHRRAB9A
SCHEMBL4985659 0.87 MEN1 (0.42) PLAUNOS1
SCHEMBL5664693 0.87 PLAU (0.40) PLAUNOS1POLB
SCHEMBL5669411 0.82 TLR2 (0.39) PLAU
SCHEMBL5664692 0.76 KLKB1 (0.38) POLBRAB9A
SCHEMBL4985651 0.75 MEN1 (0.41) —
SCHEMBL5664400 0.75 MTTP (0.46) —
SCHEMBL5664394 0.75 MTTP (0.46) —
SCHEMBL5664748 0.72 BCHE (0.34) PLAUNOS1LMNAPOLBRAB9A
SCHEMBL5669409 0.72 KLKB1 (0.39) PLAUPOLBHSD17B10HTR2A

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-1716137-A1 SUBSTITUTED QUINOLINE COMPOUNDS Pfizer Products Incorporated (US) 2006-11-02 — — EP disclosed
WO-2005080373-A1 SUBSTITUTED QUINOLINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-09-01 — — WO disclosed
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