SCHEMBL7377249

SCHEMBL7377249

O=CNc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.48
CA12 O43570 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
MAPT P10636 6/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CA1 P00915 2/20 0.43
ALDH1A1 P00352 4/20 0.42
AKR1C3 P42330 1/20 0.42
NAMPT P43490 1/20 0.41
GLA P06280 1/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
ALOX15 P16050 2/20 0.40
ALOX12 P18054 2/20 0.40
GFER P55789 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL7380234 0.82 MAPT (0.50) MAPK1CA12CA2CA9MAPT
SCHEMBL8383393 0.81 MAPT (0.52) MAPK1CA12CA2CA9MAPT
SCHEMBL23444034 0.81 MAPT (0.68) MAPK1MAPTMEN1KMT2AALDH1A1
SCHEMBL23086761 0.81 TRIM24 (0.54) MAPK1CA12CA2CA9CA1
SCHEMBL1811422 0.80 MAPT (0.48) MAPK1CA12CA2CA9MAPT
SCHEMBL25559050 0.78 AKR1C3 (0.57) MAPK1MAPTMEN1KMT2AALDH1A1
SCHEMBL20639966 0.77 AKR1C3 (0.58) MAPK1CA12CA2CA9MAPT
SCHEMBL20570682 0.77 AKR1C3 (0.58) MAPK1CA12CA2CA9CA1
SCHEMBL2450111 0.77 GFER (0.63) MAPK1CA12CA2CA9MAPT
SCHEMBL26144547 0.77 MAPT (0.61) MAPK1MAPTMEN1KMT2AALDH1A1

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
US-6069143-A Fibrinogen receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-05-30 US disclosed
EP-0885213-A4 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-04-28 EP disclosed
EP-0885213-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-23 EP disclosed
WO-1997025323-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-17 WO disclosed