SCHEMBL13893152

SCHEMBL13893152

O=C(OCl)N1CCN(c2ncccc2-c2cc(-c3cccc(F)c3)n[nH]2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ ALOX15 P16050 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NFKB1 P19838 2/20 0.47
▸ NFKB2 Q00653 2/20 0.47
▸ RELA Q04206 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ TACR3 P29371 5/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL13141699 0.91 TACR3 (0.49) MAPTALOX15SMN1; SMN2NFKB1NFKB2
SCHEMBL13141708 0.88 MAPT (0.50) MAPTALOX15SMN1; SMN2NFKB1NFKB2
SCHEMBL13141680 0.82 ALOX15 (0.54) MAPTALOX15SMN1; SMN2NFKB1NFKB2
SCHEMBL13141793 0.81 MAPT (0.48) MAPTALOX15SMN1; SMN2NFKB1NFKB2
SCHEMBL13141675 0.81 KDM4E (0.48) MAPTALOX15SMN1; SMN2NFKB1NFKB2
SCHEMBL13141682 0.80 MAPT (0.51) MAPTALOX15SMN1; SMN2NFKB1NFKB2
SCHEMBL3086423 0.79 MAPT (0.47) MAPTALOX15SMN1; SMN2NFKB1NFKB2
SCHEMBL13141673 0.77 MAPT (0.46) MAPTALOX15SMN1; SMN2NFKB1NFKB2
SCHEMBL13141668 0.74 HTR6 (0.46) MAPTALOX15SMN1; SMN2NFKB1NFKB2
SCHEMBL13141670 0.73 CCNT1 (0.43) MAPTALOX15SMN1; SMN2NFKB1NFKB2

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
WO-2009051705-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AND ANALOGS THEREOF AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. (US) 2009-04-23 — — WO disclosed
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