SCHEMBL10985779

SCHEMBL10985779

COc1ccc2c(C(O)CCCCCN(C)C)cccc2c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
MTNR1A P48039 3/20 0.45
CYP2D6 P10635 1/20 0.41
MTNR1B P49286 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TERT O14746 1/20 0.39
FLT3 P36888 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
AOC3 Q16853 1/20 0.38

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
SCHEMBL10985186 1.00 HTR2A (0.45) HTR2AMTNR1ACYP2D6MTNR1BMAOA
SCHEMBL3918191 0.81 MTNR1A (0.49) MTNR1ACYP2D6MTNR1BADRA2AADRA1A
SCHEMBL3918187 0.81 MTNR1A (0.49) MTNR1ACYP2D6MTNR1BADRA2AADRA1A
SCHEMBL3930766 0.79 MTNR1A (0.52) MTNR1ACYP2D6MTNR1BADRA2AADRA1A
SCHEMBL3930770 0.79 MTNR1A (0.52) MTNR1ACYP2D6MTNR1BADRA2AADRA1A
SCHEMBL3928924 0.78 MTNR1A (0.51) MTNR1ACYP2D6MTNR1BADRA2AADRA1A
SCHEMBL3928926 0.78 MTNR1A (0.51) MTNR1ACYP2D6MTNR1BADRA2AADRA1A
SCHEMBL11168474 0.76 HTR1B (0.66) HTR2ACYP2D6MAOAMAOB
SCHEMBL10985197 0.76 HTR1B (0.66) HTR2ACYP2D6MAOAMAOB
SCHEMBL3929104 0.74 CYP2D6 (0.50) MTNR1ACYP2D6MTNR1BADRA2AADRA1A

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-4536503-A Naphthoxyalkylamines and related compounds as antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1985-08-20 US disclosed