SCHEMBL8392174

SCHEMBL8392174

NC(=Nc1ccc(CNC(=O)N(c2ccccc2)c2ccccc2)cc1)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 18/20 0.53
TPSD1 Q9BZJ3 8/20 0.47
TPSG1 Q9NRR2 8/20 0.47
PRSS1 P07477 7/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
PLAU P00749 1/20 0.42
PLG P00747 1/20 0.41

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
SCHEMBL8392137 0.89 TPSAB1 (0.51) TPSAB1TPSD1TPSG1
SCHEMBL8392373 0.88 SIGMAR1 (0.46) TPSAB1TPSD1TPSG1NOS1
SCHEMBL8396232 0.80 TPSAB1 (0.56) TPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL8481530 0.79 TPSAB1 (0.55) TPSAB1TPSD1TPSG1
SCHEMBL8392170 0.76 NAMPT (0.43)
Oxalic Acid SCHEMBL8392856 0.74 HRH3 (0.42)
SCHEMBL9218996 0.74 NOS1 (0.54) NOS3NOS1
SCHEMBL29221819 0.74 HSP90AA1 (0.53)
SCHEMBL6961451 0.73 PPIB (0.57)
SCHEMBL8395856 0.73 HDAC2 (0.51) TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690851-B1 GUANIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AB (SE) 1999-05-19 EP claimed
US-5885985-A Guanidine derivatives useful in therapy ASTRA AKTIEBOLAG (SE) 1999-03-23 US claimed
EP-0690851-A1 GUANIDINE DERIVATIVES USEFUL IN THERAPY Astra Aktiebolag (SE) 1996-01-10 EP claimed
WO-1994021621-A1 GUANIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AKTIEBOLAG (SE) 1994-09-29 WO claimed