SCHEMBL7971601

SCHEMBL7971601

CCCCCCN(CCO)Cc1cc(N)ccc1OC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
BCHE P06276 5/20 0.43
ACHE P22303 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
PRKCI P41743 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
THRB P10828 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL7599418 0.99 SMN1; SMN2 (0.43) MAPTBCHEACHESMN1; SMN2PRKCI
SCHEMBL7598124 0.89 SMN1; SMN2 (0.48) MAPTACHESMN1; SMN2PRKCIALDH1A1
Hydrochloric Acid SCHEMBL7598139 0.80 SMN1; SMN2 (0.54) MAPTSMN1; SMN2ALDH1A1
SCHEMBL7960394 0.77 CHRM2 (0.45) MAPTBCHEACHEPRKCIALDH1A1
Hydrochloric Acid SCHEMBL7597748 0.76 CHRM2 (0.44) MAPTBCHEACHESMN1; SMN2ALDH1A1
SCHEMBL7602000 0.76 TSHR (0.50) MAPTBCHESMN1; SMN2ALDH1A1NPSR1
SCHEMBL6604506 0.75 GAA (0.43) MAPTBCHEGAAKDM4E
SCHEMBL14568586 0.75 PRKCI (0.62) MAPTBCHEACHEPRKCIALDH1A1
SCHEMBL10490485 0.74 GAA (0.42) MAPTACHEALDH1A1GAATHRB
SCHEMBL28324628 0.74 GAA (0.50) MAPTGAAKDM4E

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-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO disclosed