SCHEMBL1873797

SCHEMBL1873797

CC(C)COC(=O)N1CCN(c2cnc(I)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ RET P07949 1/20 0.44
▸ PANK3 Q9H999 2/20 0.41
▸ HRH3 Q9Y5N1 5/20 0.41
▸ KIT P10721 1/20 0.40
▸ SMO Q99835 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ HRH2 P25021 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL1873796 0.79 CKS1B (0.57) SMN1; SMN2RETALDH1A1LMNATSHR
SCHEMBL3652269 0.76 PANK3 (0.58) SMN1; SMN2HPGDRETPANK3KDM4E
SCHEMBL1872078 0.75 PANK3 (0.51) SMN1; SMN2HPGDPANK3KITHRH2
SCHEMBL3532895 0.75 KMT2A (0.45) SMN1; SMN2HPGDRETHRH3KIT
SCHEMBL3530997 0.75 KIT (0.43) SMN1; SMN2HPGDRETKITSMO
SCHEMBL3531390 0.74 TRPV1 (0.53) KITSMOHRH1
SCHEMBL1877788 0.73 PANK3 (0.58) SMN1; SMN2PANK3KITALDH1A1LMNA
SCHEMBL1879875 0.73 SMN1; SMN2 (0.46) SMN1; SMN2HPGDRETPANK3HRH3
SCHEMBL3799545 0.73 MEN1 (0.47) SMN1; SMN2HPGDHRH3KITHRH2
SCHEMBL14837557 0.72 HRH3 (0.44) SMN1; SMN2HPGDRETHRH3KIT

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-2496557-A1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE GlaxoSmithKline LLC (US) 2012-09-12 — — EP disclosed
WO-2011054841-A1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE GLAXOSMITHKLINE LLC (US) 2011-05-12 — — WO disclosed
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