SCHEMBL7014475

SCHEMBL7014475

O=C(NCCCc1ccc2cccnc2n1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 7/20 0.54
HTT P42858 1/20 0.52
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ANPEP P15144 1/20 0.48
TGM2 P21980 1/20 0.47
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
OXGR1 Q96P68 1/20 0.44
KCNK3 O14649 1/20 0.43
KCNA3 P22001 1/20 0.43
KCNA5 P22460 1/20 0.43
FAAH O00519 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
SCHEMBL13719339 0.82 SUCNR1 (0.58) SUCNR1LMNAOXGR1
SCHEMBL6424982 0.80 SUCNR1 (0.48) SUCNR1L3MBTL1OXGR1
SCHEMBL24193787 0.78 ITGB3 (0.57) SUCNR1OXGR1
SCHEMBL6220634 0.77 ITGB3 (0.61) SUCNR1
SCHEMBL30471837 0.77 ITGB3 (0.56) SUCNR1OXGR1
SCHEMBL24194294 0.77 ITGB3 (0.56) SUCNR1OXGR1
SCHEMBL13895513 0.76 HTT (0.74) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL6748819 0.75 HTT (0.72) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL18254066 0.75 HTT (0.81) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL28486793 0.74 KMT2A (0.59) LMNASMN1; SMN2L3MBTL1MAPTEGLN1

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-0946165-B1 INTEGRIN ANTAGONISTS MERCK & CO INC (US) 2003-04-09 EP disclosed
US-5952341-A VITRONECTIN RECEPTOR ANTAGONISTS FOR INHIBITING BONE RESORPTION, TREATING AND PREVENTING OSTEOPOROSIS, AND INHIBITING RESTENOSIS, DIABETIC RETINOPATHY, TUMOR, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION MERCK & CO., INC. (US) 1999-09-14 US disclosed