SCHEMBL7363844

SCHEMBL7363844

CCOC(CNc1ccc(C2CCN(C(=O)C(F)(F)F)CC2)cc1)OCC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.43
EPHX2 P34913 4/20 0.43
EPHX1 P07099 1/20 0.43
MAPT P10636 2/20 0.40
EGLN1 Q9GZT9 2/20 0.40
NPC1 O15118 1/20 0.38
STAT1 P42224 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
P2RY14 Q15391 1/20 0.38
DGAT1 O75907 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
KDM1A O60341 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
SCHEMBL8559726 0.78 ESR1 (0.46) EPHX2EPHX1NPC1RAB9APOLB
SCHEMBL10243175 0.76 MAPT (0.50) NAMPTEPHX2MAPTNPC1STAT1
SCHEMBL9409512 0.73 FFAR1 (0.42) NAMPTEPHX2EPHX1MAPTNPC1
SCHEMBL20705482 0.73 RAB9A (0.50) NAMPTMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2452371 0.70 KDM1A (0.48) NAMPTEPHX2EPHX1TLR8TLR7
SCHEMBL8414100 0.70 P2RY14 (0.47) NAMPTEPHX2EPHX1TLR8TLR7
SCHEMBL7391329 0.70 FDFT1 (0.44) MAPTDGAT1
SCHEMBL571141 0.70 KDM1A (0.60) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL2414763 0.70 P2RY14 (0.44) NAMPTEPHX2EPHX1MAPTNPC1
SCHEMBL15254117 0.69 P2RY14 (0.56) NAMPTNPC1RAB9ATLR8TLR7

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 4 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
WO-1995024405-A1 IMIDAZOLIDIN-2-ONES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND METHOD OF PREPARING THEM DR. KARL THOMAE GMBH (DE) 1995-09-14 WO 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