SCHEMBL8148488

SCHEMBL8148488

CN(C(=O)C1CCN(CC(=O)O)CC1)c1ccc(N2CCNCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLNR O43193 5/20 0.45
MAPKAPK2 P49137 1/20 0.42
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
ALOX15 P16050 1/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
S1PR1 P21453 1/20 0.40
PDK2 Q15119 3/20 0.39
ADRB1 P08588 1/20 0.38

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
Acetic Acid SCHEMBL7376483 0.88 MLNR (0.46) MLNRMAPKAPK2LMNAKMT2ATSHR
SCHEMBL8143948 0.87 MAPKAPK2 (0.48) MAPKAPK2ITGB3ITGA2BALOX15LMNA
SCHEMBL8144006 0.86 MLNR (0.43) MLNRMAPKAPK2LMNATSHRPDK2
SCHEMBL7371765 0.77 ME3 (0.54) ITGB3ITGA2BMEN1KMT2AALDH1A1
SCHEMBL8148485 0.75 ALDH1A1 (0.48) TSHRUSP2ALDH1A1
SCHEMBL7371906 0.75 ALDH1A1 (0.46) MAPKAPK2ITGB3ITGA2BALOX15MEN1
SCHEMBL8143954 0.75 ACACB (0.47) ALDH1A1
SCHEMBL8143170 0.74 MAPT (0.43) MLNRLMNAMEN1KMT2AALDH1A1
SCHEMBL3246144 0.73 MAPKAPK2 (0.53) MAPKAPK2LMNATSHRUSP2ALDH1A1
SCHEMBL8135239 0.72 ACHE (0.45) ITGB3ITGA2BALOX15MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6069143-A Fibrinogen receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-05-30 US disclosed