SCHEMBL6961269

SCHEMBL6961269

O=C1N[C@@H](c2ccc(F)c(F)c2)[C@H](COC2CCCCO2)O1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.43
L3MBTL1 Q9Y468 1/20 0.34
IDO1 P14902 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
P2RX3 P56373 2/20 0.31
KIF11 P52732 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
SCHEMBL7843744 1.00 GRM5 (0.43) GRM5L3MBTL1IDO1MEN1KMT2A
SCHEMBL13167958 0.86 GRM5 (0.47) GRM5L3MBTL1MEN1KMT2AKDM4C
SCHEMBL3592583 0.82 GRM5 (0.46) GRM5KIF11
SCHEMBL8165987 0.77 GRM5 (0.41) GRM5IDO1
SCHEMBL7972568 0.77 GRM5 (0.41) GRM5IDO1
SCHEMBL7976303 0.75 ADRA1A (0.38) GRM5L3MBTL1IDO1MEN1KMT2A
SCHEMBL7976298 0.75 ADRA1A (0.38) GRM5L3MBTL1IDO1MEN1KMT2A
SCHEMBL7872587 0.73 GRM5 (0.39) GRM5
SCHEMBL15181377 0.73 GRM5 (0.36) GRM5MEN1KMT2AKDM4C
SCHEMBL2836304 0.72 GRM5 (0.43) GRM5IDO1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998285-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-08 EP disclosed
US-6255315-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-07-03 US disclosed
US-6228870-B1 BENIGN PROSTATIC HYPERPLASIA; REDUCTION OF HYPOTENSION SIDE EFFECT MERCK & CO., INC. 2001-05-08 US disclosed
US-6143750-A NITROGEN HETEROCYCLIC COMPOUNDS AS ENZYME INHIBITORS, FOR PROSTATE PROBLEMS AND MUSCLE RELAXANTS MERCK & CO., INC. (US) 2000-11-07 US disclosed
EP-0998285-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-05-10 EP disclosed
US-6037354-A ADMINISTERING PHENYL-SUBSTITUTED THIAZOLIDIN-4-ONE OR OXAZOLIDIN-2-ONE DERIVATIVE TO TREAT BENIGN PROSTATE HYPERPLASIA; SIDE EFFECT REDUCTION MERCK & CO., INC. (US) 2000-03-14 US disclosed
WO-1998057641-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO disclosed