SCHEMBL7968472

SCHEMBL7968472

c1ccc2c(c1)NC[C@@H]1CCCN21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
MAPT P10636 3/20 0.58
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPK1 P28482 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HTR2C P28335 10/20 0.43
HTR2B P41595 7/20 0.43
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
OGFRL1 Q5TC84 2/20 0.43
OPRL1 P41146 1/20 0.38
HTR2A P28223 1/20 0.37
NOS1 P29475 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BRD4 O60885 1/20 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
SCHEMBL32677827 1.00 GAA (1.00) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL7982332 1.00 GAA (1.00) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL7985244 1.00 GAA (1.00) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL29978990 0.95 GAA (0.90) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL15523034 0.93 GAA (0.88) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL15522726 0.79 GAA (0.66) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL30729380 0.78 MEN1 (0.64) GAAMEN1KMT2AHTR2CHTR2B
SCHEMBL26092480 0.78 GAA (0.64) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL30910113 0.78 GAA (0.64) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL3260203 0.78 MEN1 (0.64) GAAMEN1KMT2AHTR2CHTR2B

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
US-6225306-B1 PYRROLO(1,2A)QUINOXALINES WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 2001-05-01 US disclosed
EP-0987266-A1 BIPHENYL DERIVATIVES AND MEDICINAL COMPOSITIONS Wakamoto Pharmaceutical Co., Ltd. (JP) 2000-03-22 EP disclosed