SCHEMBL7303591

SCHEMBL7303591

N=C(N)c1ccc(N2CCN([C@H]3CC[C@](O)(CC(=O)O)CC3)CC2)c(-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.45
ITGA2B P08514 8/20 0.45
ALOX15 P16050 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NTRK1 P04629 1/20 0.35
NTRK2 Q16620 1/20 0.35
F2 P00734 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ALK Q9UM73 1/20 0.34
F7 P08709 1/20 0.34
NPY2R P49146 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
F10 P00742 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL7303596 1.00 ITGB3 (0.45) ITGB3ITGA2BALOX15L3MBTL3L3MBTL1
SCHEMBL7303605 1.00 ITGB3 (0.45) ITGB3ITGA2BALOX15L3MBTL3L3MBTL1
SCHEMBL7304500 0.89 ITGB3 (0.38) ITGB3ITGA2BALOX15L3MBTL3L3MBTL1
SCHEMBL7296184 0.85 ITGB3 (0.47) ITGB3ITGA2BALOX15L3MBTL3L3MBTL1
SCHEMBL7296172 0.85 ITGB3 (0.47) ITGB3ITGA2BALOX15L3MBTL3L3MBTL1
SCHEMBL7296178 0.85 ITGB3 (0.47) ITGB3ITGA2BALOX15L3MBTL3L3MBTL1
SCHEMBL7298004 0.81 ITGB3 (0.67) ITGB3ITGA2BALOX15F2
SCHEMBL7297997 0.81 ITGB3 (0.67) ITGB3ITGA2BALOX15F2
SCHEMBL7298008 0.81 ITGB3 (0.67) ITGB3ITGA2BALOX15F2
SCHEMBL7297503 0.80 L3MBTL1 (0.36) L3MBTL3L3MBTL1NTRK1NTRK2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537980-A1 Cyclohexaneacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-04-21 EP claimed
EP-0537980-A1 Cyclohexaneacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-04-21 EP disclosed