SCHEMBL7298282

SCHEMBL7298282

Oc1ccc(C2CNCC2Cc2cc(F)cc(F)c2O)cc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 1/20 0.39
QDPR P09417 1/20 0.35
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PARP1 P09874 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
PMP22 Q01453 1/20 0.31

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
SCHEMBL7432796 1.00 GRK2 (0.39) GRK2QDPRMEN1POLBGAA
SCHEMBL7432781 1.00 GRK2 (0.39) GRK2QDPRMEN1POLBGAA
Bromide SCHEMBL7303840 0.99 GRK2 (0.39) GRK2QDPRMEN1POLBGAA
Bromide SCHEMBL9152139 0.99 GRK2 (0.39) GRK2QDPRMEN1POLBGAA
Bromide SCHEMBL7303846 0.99 GRK2 (0.39) GRK2QDPRMEN1POLBGAA
SCHEMBL7298143 0.85 GRK2 (0.37) GRK2QDPRMEN1POLBGAA
SCHEMBL7294770 0.85 GRK2 (0.37) GRK2QDPRMEN1POLBGAA
SCHEMBL7298153 0.85 GRK2 (0.37) GRK2QDPRMEN1POLBGAA
SCHEMBL7302987 0.77 PARP1 (0.44) GRK2QDPRMEN1POLBGAA
SCHEMBL7430243 0.77 PARP1 (0.44) GRK2QDPRMEN1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0381235-B1 PYRROLIDINE COMPOUND AND PHARMACEUTICAL USE Eisai Co., Ltd. (JP) 1993-07-28 EP claimed
EP-0381235-A2 Pyrrolidine compound and pharmaceutical use Eisai Co., Ltd. (JP) 1990-08-08 EP claimed
US-5444083-A DOPAMINE AGONIST FOR TREATING OR PREVENTION OF HYPERTENSION OR HEART FAILURE EISAI CO., LTD. (JP) 1995-08-22 US disclosed
EP-0381235-B1 PYRROLIDINE COMPOUND AND PHARMACEUTICAL USE Eisai Co., Ltd. (JP) 1993-07-28 EP disclosed
EP-0381235-A2 Pyrrolidine compound and pharmaceutical use Eisai Co., Ltd. (JP) 1990-08-08 EP disclosed