SCHEMBL8633528

SCHEMBL8633528

CC(=O)C(Oc1ccccc1)C(=O)ON1CCN(c2ccnc(C)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 1/20 0.35
F10 P00742 3/20 0.35
CHRM1 P11229 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ACACB O00763 2/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
F2 P00734 1/20 0.34
PLAT P00750 1/20 0.34

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
SCHEMBL8632788 0.88 MAPT (0.37) TSHRHSD17B10KMT2AALDH1A1NPSR1
SCHEMBL8633669 0.86 CYP2C9 (0.44) TSHRALDH1A1MAPK1MAPT
SCHEMBL8631977 0.80 ROCK2 (0.42) AOC3TSHRKMT2AALDH1A1MAPK1
SCHEMBL8630734 0.78 ROCK2 (0.52) AOC3F10ALDH1A1NPC1MAPT
SCHEMBL8649593 0.78 NCF1 (0.58) TSHRHSD17B10KMT2ANPSR1MAPK1
SCHEMBL8700994 0.77 AOC3 (0.41) AOC3PSEN1PSEN2APH1BNCSTN
SCHEMBL8634919 0.74 CYP2C9 (0.37) AOC3TSHRALDH1A1MAPK1NPC1
SCHEMBL8632221 0.72 TSHR (0.40) AOC3TSHRKMT2AF10ALDH1A1
SCHEMBL8632956 0.71 CYP2C9 (0.38) TSHRHSD17B10ALDH1A1NPSR1MAPK1
SCHEMBL8636239 0.70 CHRM1 (0.39) AOC3TSHRCHRM1ALDH1A1

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
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5728701-A INHIBIT PLATELET AGGREGATION ZENECA LIMITED (GB) 1998-03-17 US disclosed