SCHEMBL7527587

SCHEMBL7527587

Cc1[nH]c2ccccc2c1C[C@H](N)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.58
MAPT P10636 4/20 0.57
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
CASP1 P29466 2/20 0.57
CASP7 P55210 2/20 0.57
GAA P10253 1/20 0.57
HTT P42858 2/20 0.53
TSHR P16473 1/20 0.53
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.50
PABPC1 P11940 1/20 0.48
ALOX15 P16050 1/20 0.48
HTR6 P50406 1/20 0.47
EGFR P00533 3/20 0.46
SRC P12931 2/20 0.46
MITF O75030 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4586167 0.88 MAPT (0.61) SCN9AMAPTALDH1A1KDM4ECASP1
SCHEMBL2049320 0.88 MAPT (0.61) SCN9AMAPTALDH1A1KDM4ECASP1
SCHEMBL29557291 0.88 MAPT (0.61) SCN9AMAPTALDH1A1KDM4ECASP1
SCHEMBL195997 0.88 MAPT (0.61) SCN9AMAPTALDH1A1KDM4ECASP1
SCHEMBL29527665 0.88 MAPT (0.61) SCN9AMAPTALDH1A1KDM4ECASP1
SCHEMBL29499673 0.88 MAPT (0.61) SCN9AMAPTALDH1A1KDM4ECASP1
SCHEMBL5925150 0.85 MAPT (0.54) SCN9AMAPTALDH1A1KDM4ECASP1
SCHEMBL27312034 0.85 MAPT (0.54) SCN9AMAPTALDH1A1KDM4ECASP1
SCHEMBL7811480 0.85 MAPT (0.54) SCN9AMAPTALDH1A1KDM4ECASP1
SCHEMBL3855559 0.83 ALDH1A1 (0.52) SCN9AMAPTALDH1A1KDM4ECASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842193-B1 SOMATOSTATIN-ANALOGOUS CYCLIC PEPTIDES WITH INHIBITORY ACTIVITY ON GROWTH HORMONE DEGHENGHI ROMANO (CH) 2002-02-27 EP disclosed
EP-0842193-A1 SOMATOSTATIN-ANALOGOUS CYCLIC PEPTIDES WITH INHIBITORY ACTIVITY ON GROWTH HORMONE DEGHENGHI, Romano (CH) 1998-05-20 EP disclosed
WO-1997005167-A1 SOMATOSTATIN-ANALOGOUS CYCLIC PEPTIDES WITH INHIBITORY ACTIVITY ON GROWTH HORMONE DEGHENGHI ROMANO (CH) 1997-02-13 WO disclosed