SCHEMBL7392091

SCHEMBL7392091

CCOC(=O)[C@H]1CC[C@H](N2CCN(c3ccc(C4CCN(C(=O)C(F)(F)F)CC4)cc3)C2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ALDH1A1 P00352 6/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LGMN Q99538 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.37
DGAT1 O75907 1/20 0.37
F10 P00742 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
PDK2 Q15119 1/20 0.36

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
SCHEMBL7392094 1.00 POLB (0.41) POLBALDH1A1MAPTHSD17B10LGMN
SCHEMBL7390351 0.90 HRH3 (0.41) ALDH1A1DGAT1F10PDK2
SCHEMBL7390348 0.90 HRH3 (0.41) ALDH1A1DGAT1F10PDK2
SCHEMBL7390889 0.84 KHK (0.41) ALDH1A1MAPTLGMNKDM4EF10
SCHEMBL7390891 0.84 KHK (0.41) ALDH1A1MAPTLGMNKDM4EF10
Hydrochloric Acid SCHEMBL7391597 0.83 KHK (0.41) ALDH1A1MAPTLGMNKDM4EF10
SCHEMBL7391329 0.82 FDFT1 (0.44) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL8417022 0.74 RORC (0.38) ALDH1A1MAPTF10PDK2
SCHEMBL8417020 0.74 RORC (0.38) ALDH1A1MAPTF10PDK2
SCHEMBL8413955 0.74 SMN1; SMN2 (0.48) MAPTSMN1; SMN2NPC1

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