SCHEMBL11277685

SCHEMBL11277685

Cc1nnc2c(N)cccn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 4/20 0.39
MAPT P10636 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
HSD17B10 Q99714 3/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL10179020 0.79 NR1I2 (0.46) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL1155698 0.78 TSHR (0.35) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL19292971 0.76 RXFP1 (0.36) ALDH1A1KDM4EMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL23005306 0.74 HSD17B10 (0.33) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12877259 0.73 HSD11B1 (0.49) ALDH1A1KMT2ASMN1; SMN2HSD17B10TSHR
SCHEMBL21067213 0.72 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL23005307 0.72 RXFP1 (0.33) ALDH1A1MEN1MAPTKMT2ANPC1
SCHEMBL5220990 0.71 ATP4A (0.51) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL2519357 0.71 KDM4E (0.53) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL13654991 0.71 HSD11B1 (0.38) KMT2ASMN1; SMN2HSD17B10TSHRMAPK1

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-3746451-B1 BENZYL-, (PYRIDIN-3-YL)METHYL- OR (PYRIDIN-4-YL)METHYL-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-07-12 EP disclosed
WO-2019149657-A1 BENZYL-, (PYRIDIN-3-YL)METHYL- OR (PYRIDIN-4-YL)METHYL-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-08 WO disclosed
US-4358453-A ANTIULCER AGENTS SCHERING CORPORATION (US) 1982-11-09 US disclosed