SCHEMBL7702618

SCHEMBL7702618

NC1(CO)CC2CCC1C2

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.35
KDM1A O60341 1/20 0.33
HSD11B1 P28845 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
SCHEMBL9457464 0.82 GRIN2D (0.37) ALOX5AP
Hydrochloric Acid SCHEMBL9457536 0.80 GRIN2D (0.36)
SCHEMBL9913257 0.78 GRIN2D (0.35) KDM1A
SCHEMBL9457622 0.75 GRIN2D (0.32)
SCHEMBL830029 0.74
SCHEMBL19144766 0.74
Water SCHEMBL9458163 0.74 GRIN2D (0.31)
SCHEMBL152170 0.73 ALOX5AP (0.37) ALOX5APHSD11B1
SCHEMBL900016 0.71 ALOX5AP (0.39) ALOX5APHSD11B1
SCHEMBL3687706 0.70 ALOX5AP (0.35) ALOX5APHSD11B1

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
WO-2021047583-A1 TRICYCLIC PYRAZOLE DERIVATIVE AND PREPARATION THEREOF 四川海思科制药有限公司 2021-03-18 WO disclosed
US-6353006-B1 TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT BAYER CORPORATION 2002-03-05 US disclosed
CN-1337955-A Substituted 2-arylimino heterocycles and compositions containing them, for use as progesterone receptor binding agents AMERICAN BAYER CORP (US) 2002-02-27 CN disclosed
EP-1144396-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2001-10-17 EP disclosed
WO-2000042031-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER CORPORATION (US) 2000-07-20 WO disclosed