SCHEMBL7394208

SCHEMBL7394208

COC(=O)[C@H]1CC[C@H](N2CCN(c3ccc(O)cc3)C2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
BTK Q06187 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
GAA P10253 1/20 0.39
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KHK P50053 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL7394211 1.00 MAPT (0.41) MAPTBTKHRH3ALDH1A1CA12
SCHEMBL31662436 0.85 F10 (0.43) TDP1KHK
Hydrochloric Acid SCHEMBL8413942 0.82 HRH3 (0.43) MAPTBTKHRH3ALDH1A1CA12
Hydrochloric Acid SCHEMBL7389071 0.82 ALDH1A1 (0.45) MAPTBTKHRH3ALDH1A1GAA
Hydrochloric Acid SCHEMBL7390541 0.82 HRH3 (0.43) MAPTBTKHRH3ALDH1A1CA12
SCHEMBL7389833 0.81 ALDH1A1 (0.44) MAPTBTKHRH3ALDH1A1GAA
SCHEMBL7389831 0.81 ALDH1A1 (0.44) MAPTBTKHRH3ALDH1A1GAA
SCHEMBL7390348 0.79 HRH3 (0.41) BTKHRH3ALDH1A1
SCHEMBL7390351 0.79 HRH3 (0.41) BTKHRH3ALDH1A1
SCHEMBL8413955 0.77 SMN1; SMN2 (0.48) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed
EP-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP disclosed