SCHEMBL8135239

SCHEMBL8135239

O=C(O)CN1CCC(NCc2ccc(N3CCNCC3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.45
BACE1 P56817 12/20 0.45
BCHE P06276 10/20 0.45
S1PR1 P21453 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
ALOX15 P16050 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41

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
SCHEMBL8148485 0.84 ALDH1A1 (0.48) USP2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL9409510 0.81 USP2 (0.42) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL7371765 0.76 ME3 (0.54) MEN1KMT2AITGB3ITGA2BALDH1A1
SCHEMBL7371906 0.74 ALDH1A1 (0.46) MEN1KMT2AITGB3ITGA2BALOX15
SCHEMBL21815373 0.74 ALDH1A1 (0.53) KMT2AUSP2ALDH1A1TSHRHSD17B10
SCHEMBL8148488 0.72 MLNR (0.45) S1PR1MEN1KMT2AITGB3ITGA2B
SCHEMBL8143954 0.72 ACACB (0.47) ALDH1A1
SCHEMBL4541029 0.72 ITGB3 (0.59) ITGB3ITGA2BUSP2ALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL7376343 0.71 ME3 (0.48) MEN1KMT2AITGB3ITGA2BALDH1A1
SCHEMBL3958384 0.71 DRD4 (0.56) ACHEBACE1BCHEMEN1KMT2A

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