SCHEMBL10693816

SCHEMBL10693816

Cc1ccc2cc3ccccc3c(OCCCN(C)C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.51
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 1/20 0.47
DRD3 P35462 1/20 0.43
TOP2A P11388 1/20 0.43
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SCN3A Q9NY46 1/20 0.41
PTPN1 P18031 1/20 0.40
LSS P48449 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 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
SCHEMBL10694848 0.90 HTR1B (0.61) HTR1BCYP1A2CYP2D6TOP2AABCB11
SCHEMBL10695962 0.85 HTR1B (0.62) HTR1BCYP1A2CYP2D6TOP2AABCB11
SCHEMBL10692377 0.84 L3MBTL1 (0.40) HTR1BCYP1A2CYP2C19LMNATDP1
SCHEMBL29372017 0.84 SLC2A1 (0.44) HTR1BCYP1A2CYP2D6ABCB11LMNA
SCHEMBL10693186 0.84 HTR1B (0.47) HTR1BCYP1A2DRD3TDP1MAOA
SCHEMBL23089941 0.84 SLC2A1 (0.44) HTR1BCYP1A2CYP2D6ABCB11LMNA
SCHEMBL10691295 0.84 HTR1B (0.60) HTR1BCYP1A2CYP2D6TOP2AABCB11
SCHEMBL10692799 0.84 HTR1B (0.60) HTR1BCYP1A2CYP2D6TOP2AABCB11
SCHEMBL10691756 0.84 HTR1B (0.60) HTR1BCYP1A2CYP2D6TOP2AABCB11
SCHEMBL10690273 0.84 HTR1B (0.49) HTR1BCYP1A2CYP2D6TOP2AABCB11

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