SCHEMBL10694726

SCHEMBL10694726

CCN(C)CCCCCCCCCOc1c2ccccc2cc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.46
ABCB1 P08183 9/20 0.41
ABCG2 Q9UNQ0 6/20 0.41
HTR1D P28221 2/20 0.40
ABCB11 O95342 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SCN3A Q9NY46 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CNR1 P21554 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
SCHEMBL10696158 0.94 HTR1B (0.45) HTR1BABCB1ABCG2HTR1DABCB11
SCHEMBL10693879 0.88 HTR1B (0.47) HTR1BABCB1ABCG2HTR1DABCB11
SCHEMBL10691756 0.86 HTR1B (0.60) HTR1BABCB11LMNACYP1A2CYP2D6
SCHEMBL10691295 0.86 HTR1B (0.60) HTR1BABCB11LMNACYP1A2CYP2D6
SCHEMBL10692799 0.86 HTR1B (0.60) HTR1BABCB11LMNACYP1A2CYP2D6
SCHEMBL10695962 0.84 HTR1B (0.62) HTR1BABCB11LMNACYP1A2CYP2D6
SCHEMBL10694626 0.82 HTR1B (0.49) HTR1BHTR1DBCHEACHEALDH1A1
SCHEMBL23089961 0.81 TLR8 (0.48) HTR1BABCB11LMNACYP1A2CYP2D6
SCHEMBL23271667 0.81 TLR8 (0.48) HTR1BABCB11LMNACYP1A2CYP2D6
SCHEMBL3999665 0.81 TLR8 (0.48) HTR1BABCB11LMNACYP1A2CYP2D6

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-4792551-A 9-anthryloxyaminoalkanes and related compounds as anti-inflammatory and analgetic agents SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed
EP-0132351-A2 9-Anthryloxyaminoalkanes and related compounds, processes for their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1985-01-30 EP disclosed