SCHEMBL7418322

SCHEMBL7418322

N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
TP53 P04637 3/20 0.44
LMNA P02545 2/20 0.44
CTSC P53634 1/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
LTA4H P09960 1/20 0.42
PKM P14618 1/20 0.42
F2 P00734 4/20 0.42
UBE2T Q9NPD8 1/20 0.42

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
SCHEMBL7423601 0.88 F2 (0.53) MAPTTP53LMNAKMT2AALDH1A1
SCHEMBL7418302 0.88 F2 (0.53) MAPTTP53LMNAKMT2AALDH1A1
SCHEMBL7443425 0.87 F2 (0.54) CTSCKMT2ANPC1F2F10
SCHEMBL7359256 0.87 F2 (0.53) F2F10KLK1CTRC
SCHEMBL7360493 0.87 F2 (0.53) F2F10KLK1CTRC
Bromide SCHEMBL7365314 0.86 F2 (0.52) F2F10KLK1CTRC
SCHEMBL7479296 0.86 F2 (0.48) TP53THRBF2F10KLK1
SCHEMBL7422682 0.86 F2 (0.53) F2F10KLK1CTRC
Bromide SCHEMBL7365316 0.86 F2 (0.52) F2F10KLK1CTRC
Hydrochloric Acid SCHEMBL7422561 0.82 NPC1 (0.52) MAPTLMNACTSCALDH1A1HPGD

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-0815103-A1 TRYPSIN AND THROMBIN INHIBITORS Novartis AG (CH) 1998-01-07 EP disclosed
WO-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 WO disclosed