SCHEMBL7652040

SCHEMBL7652040

CCOC(=O)c1ccc(N2CCN(c3nc4ccccc4[nH]3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
NPC1 O15118 2/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
RAB9A P51151 1/20 0.57
SIRT2 Q8IXJ6 2/20 0.54
SIRT1 Q96EB6 2/20 0.54
NPY5R Q15761 1/20 0.54
HTR2B P41595 1/20 0.54
TP53 P04637 2/20 0.53
METAP1 P53582 1/20 0.53
ACHE P22303 2/20 0.49
BCHE P06276 1/20 0.49
TSHR P16473 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TRPC3 Q13507 1/20 0.48
HTR3A P46098 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL382255 0.85 NPC1 (0.66) MAPTNPC1ALDH1A1LMNAMAPK1
SCHEMBL7651404 0.82 HTR2B (0.65) MAPTALDH1A1LMNARAB9AHTR2B
SCHEMBL382235 0.81 MAPT (0.51) MAPTNPC1ALDH1A1LMNAMAPK1
SCHEMBL22015905 0.79 HPGD (0.65) MAPTNPC1ALDH1A1LMNAMAPK1
SCHEMBL20188098 0.79 HPGD (0.65) MAPTNPC1ALDH1A1LMNAMAPK1
SCHEMBL6598953 0.79 BCHE (0.56) MAPTALDH1A1LMNARAB9AHTR2B
SCHEMBL15474490 0.77 MAPT (0.64) MAPTLMNATP53TRPC3
SCHEMBL1192845 0.76 ALDH1A1 (0.55) MAPTNPC1ALDH1A1LMNAMAPK1
SCHEMBL1193289 0.75 EGLN1 (0.68) MAPTNPC1ALDH1A1LMNAMAPK1
Hydrochloric Acid SCHEMBL1192843 0.75 MAPT (0.54) MAPTNPC1ALDH1A1LMNAMAPK1

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-6451800-B1 Phenylpiperazine derivatives as integrin αvβ3 antagonists MEIJI SEIKA KAISHA, LTD. (JP) 2002-09-17 US disclosed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP disclosed