SCHEMBL7378338

SCHEMBL7378338

N=C(NCc1ccccc1)c1ccc(C2CC(CN3CCC(CC(=O)O)CC3)ON2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ DGAT1 O75907 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ MCHR1 Q99705 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL7379177 0.91 SMN1; SMN2 (0.38) MEN1KMT2ADGAT1
SCHEMBL7376001 0.88 ITGB3 (0.36) —
SCHEMBL7381742 0.87 PTGIR (0.37) MEN1KMT2A
SCHEMBL7376103 0.87 ITGB3 (0.37) DGAT1
SCHEMBL7378740 0.85 ITGB3 (0.38) DGAT1
SCHEMBL7375252 0.83 ITGB3 (0.45) —
SCHEMBL7374634 0.82 ITGB3 (0.38) SIGMAR1
SCHEMBL7664228 0.81 ACHE (0.38) DGAT1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7374981 0.81 ITGB3 (0.38) SIGMAR1
SCHEMBL7378953 0.81 ITGB3 (0.37) MEN1KMT2A

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
EP-1131320-A1 ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2001-09-12 — — EP claimed
WO-2000029407-A1 ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-05-25 — — WO claimed
EP-1131320-A1 ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2001-09-12 — — EP disclosed
WO-2000029407-A1 ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-05-25 — — WO disclosed
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