SCHEMBL5960384

SCHEMBL5960384

CCCC(=O)Oc1ccc2c(c1)C(Cc1c[nH]cn1)CC2

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.45
NQO2 P16083 12/20 0.45
MTNR1B P49286 12/20 0.45
ACHE P22303 3/20 0.42

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 SCHEMBL1644551 0.99 MTNR1A (0.45) MTNR1ANQO2MTNR1BACHE
SCHEMBL5960309 0.87 MTNR1A (0.46) MTNR1ANQO2MTNR1BACHE
Hydrochloric Acid SCHEMBL1646444 0.86 MTNR1A (0.45) MTNR1ANQO2MTNR1BACHE
SCHEMBL2947131 0.84 MTNR1A (0.41) MTNR1ANQO2MTNR1BACHE
Hydrochloric Acid SCHEMBL1644618 0.84 ACHE (0.41) MTNR1ANQO2MTNR1BACHE
SCHEMBL7037093 0.81 MTNR1A (0.50) MTNR1ANQO2MTNR1B
Hydrochloric Acid SCHEMBL6377152 0.80 MTNR1A (0.49) MTNR1ANQO2MTNR1B
SCHEMBL7110314 0.76 SIGMAR1 (0.52) MTNR1ANQO2MTNR1B
Fadolmidine SCHEMBL2641380 0.75 ESR1 (0.59) MTNR1ANQO2MTNR1B
Fadolmidine SCHEMBL29365481 0.75 ESR1 (0.59) MTNR1ANQO2MTNR1B

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
EP-1572198-B1 NEW PHARMACEUTICAL COMPOUNDS WITH ALPHA2RECEPTOR ACTIVITY ORION CORP (FI) 2006-04-19 EP claimed