SCHEMBL10692799

SCHEMBL10692799

CN(C)CCCCCOc1c2ccccc2cc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.60
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
ABCB11 O95342 1/20 0.46
LMNA P02545 1/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SCN3A Q9NY46 1/20 0.46
TOP2A P11388 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SIGMAR1 Q99720 1/20 0.42
LSS P48449 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL10691756 1.00 HTR1B (0.60) HTR1BCYP1A2CYP2D6ABCB11LMNA
SCHEMBL10691295 1.00 HTR1B (0.60) HTR1BCYP1A2CYP2D6ABCB11LMNA
SCHEMBL10695962 0.98 HTR1B (0.62) HTR1BCYP1A2CYP2D6ABCB11LMNA
SCHEMBL10694848 0.93 HTR1B (0.61) HTR1BCYP1A2CYP2D6ABCB11LMNA
SCHEMBL10692306 0.88 HTR1B (0.60) HTR1BCYP1A2CYP2D6ABCB11LMNA
SCHEMBL10694029 0.88 HTR2A (0.49) HTR1BCYP1A2KDM4EALDH1A1SIGMAR1
SCHEMBL10690312 0.87 HTR1B (0.51) HTR1BCYP1A2CYP2D6ABCB11LMNA
SCHEMBL10694635 0.86 HTR1B (0.53) HTR1BCYP1A2CYP2D6ABCB11LMNA
SCHEMBL10693307 0.86 HTR1B (0.50) HTR1BCYP1A2KDM4EALDH1A1
SCHEMBL10694726 0.86 HTR1B (0.46) HTR1BCYP1A2CYP2D6ABCB11LMNA

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 3 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 claimed
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 claimed
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