SCHEMBL8416045

SCHEMBL8416045

COC(=O)CCCC1CN(C2CCC(N)CC2)C(=O)N1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL8415390 0.94 GAA (0.37) GAAALDH1A1L3MBTL1LMNATSHR
SCHEMBL8573582 0.90 SMN1; SMN2 (0.38) GAAALDH1A1L3MBTL1LMNATSHR
SCHEMBL8413743 0.89 PTGER3 (0.38)
SCHEMBL8416979 0.85 PTGER3 (0.35) ALDH1A1KDM4EMAPT
SCHEMBL8415964 0.83 GAA (0.35) GAAALDH1A1L3MBTL1TSHR
SCHEMBL8572803 0.78 CHRM3 (0.48)
SCHEMBL8573046 0.75 HTT (0.52) ALDH1A1L3MBTL1MEN1KMT2ARAB9A
SCHEMBL8415966 0.74 F2 (0.37) ALDH1A1KDM4EMAPT
SCHEMBL8575669 0.72 CTSG (0.39) GAAALDH1A1L3MBTL1LMNATSHR
SCHEMBL7274642 0.69 S1PR1 (0.41) HPGD

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-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed