SCHEMBL9640404

SCHEMBL9640404

CC(C)Oc1ccccc1OC(Cc1ccccc1)C1=NCCN1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 14/20 0.65
ADRA2C P18825 14/20 0.65
ADRA2A P08913 13/20 0.65
NISCH Q9Y2I1 9/20 0.65
MAOA P21397 8/20 0.60
MAOB P27338 8/20 0.60
HTR1A P08908 2/20 0.49

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
SCHEMBL9199669 0.90 ADRA2B (0.64) ADRA2BADRA2CADRA2ANISCHMAOA
SCHEMBL7854252 0.89 MAOA (0.59) ADRA2BADRA2CADRA2ANISCHMAOA
SCHEMBL9201690 0.88 ADRA2B (0.67) ADRA2BADRA2CADRA2ANISCHMAOA
SCHEMBL3169171 0.86 NISCH (0.52) ADRA2BADRA2CADRA2ANISCHMAOA
SCHEMBL7861118 0.85 MAOA (0.53) ADRA2BADRA2CADRA2ANISCHMAOA
SCHEMBL9640503 0.84 MAOA (0.54) ADRA2BADRA2CADRA2ANISCHMAOA
SCHEMBL7854312 0.84 ADRA2B (0.50) ADRA2BADRA2CADRA2ANISCHMAOA
SCHEMBL9199592 0.84 NISCH (0.53) ADRA2BADRA2CADRA2ANISCHMAOA
Hydrochloric Acid SCHEMBL7860436 0.84 MAOA (0.52) ADRA2BADRA2CADRA2ANISCHMAOA
SCHEMBL9199785 0.83 MAOA (0.52) ADRA2BADRA2CADRA2ANISCHMAOA

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
US-5134154-A Phenoxy-heterocyclic compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-28 US disclosed