SCHEMBL10690273

SCHEMBL10690273

CCc1ccc2cc3ccccc3c(OCCCN(C)C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.49
CYP1A2 P05177 2/20 0.43
ABCB11 O95342 1/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SCN3A Q9NY46 1/20 0.43
CYP2A6 P11509 1/20 0.41
TOP2A P11388 1/20 0.41
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HRH3 Q9Y5N1 4/20 0.40
PTPN1 P18031 1/20 0.39
LSS P48449 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 0.87 HTR1B (0.61) HTR1BCYP1A2ABCB11LMNACYP2D6
SCHEMBL23089902 0.86 CYP1A2 (0.46) HTR1BCYP1A2ABCB11LMNACYP2D6
SCHEMBL29371017 0.86 CYP1A2 (0.46) HTR1BCYP1A2ABCB11LMNACYP2D6
SCHEMBL10694587 0.85 CYP1A2 (0.45) CYP1A2LMNATDP1CYP2A6
SCHEMBL10693006 0.85 HTR1B (0.45) HTR1BCYP1A2CYP2D6CYP2A6
SCHEMBL23089949 0.85 CYP1A2 (0.45) CYP1A2ABCB11LMNACYP2D6SCN1A
SCHEMBL29372406 0.85 CYP1A2 (0.45) CYP1A2ABCB11LMNACYP2D6SCN1A
SCHEMBL29370971 0.85 CYP1A2 (0.47) CYP1A2TDP1CYP2A6
SCHEMBL23089973 0.85 CYP1A2 (0.47) CYP1A2TDP1CYP2A6
SCHEMBL23089942 0.84 CYP1A2 (0.44) CYP1A2LMNATDP1CYP2A6

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