SCHEMBL12507710

SCHEMBL12507710

CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C2Cc3cc(Cl)ccc3N2)[C@H](N)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 5/20 0.41
▸ USP30 Q70CQ3 2/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ F10 P00742 2/20 0.39
▸ PAK1 Q13153 1/20 0.38
▸ MAPK8 P45983 2/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ PTPN2 P17706 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ PTPN6 P29350 1/20 0.37

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
SCHEMBL12056140 0.76 STS (0.39) STSNPC1RAB9AMAPTALDH1A1
SCHEMBL3336715 0.75 F10 (0.63) F10
SCHEMBL2940528 0.75 F10 (0.63) F10
SCHEMBL3336718 0.75 F10 (0.63) F10
SCHEMBL12101100 0.72 EPHX2 (0.36) MAPK8
SCHEMBL27349799 0.71 USP30 (0.48) STSUSP30NPC1RAB9AMAPT
SCHEMBL11959792 0.71 DRD2 (0.34) ALDH1A1L3MBTL1MAPK8
SCHEMBL18345764 0.69 CNR1 (0.44) STSUSP30NPC1RAB9AMAPT
SCHEMBL16512911 0.69 USP30 (0.50) STSUSP30NPC1RAB9AMAPT
SCHEMBL15197029 0.69 STS (0.50) STS

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
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 — — EP disclosed
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