SCHEMBL10693012

SCHEMBL10693012

Cc1cccc2cc3cccc(C)c3c(OCCCCN)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
SCN4A P35499 5/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 2/20 0.36
SCN8A Q9UQD0 4/20 0.35
MAOA P21397 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL10693274 0.89 HTR1B (0.47) HTR1BNOS3NOS1NOS2ALDH1A1
SCHEMBL10694997 0.87 KDM4E (0.40) SCN4AALDH1A1KDM4ELMNAMEN1
SCHEMBL10691821 0.81 SMN1; SMN2 (0.50) HTR1BALDH1A1LMNAMEN1MAPT
SCHEMBL10690950 0.81 HTR1B (0.50) HTR1BALDH1A1KDM4ELMNAMEN1
SCHEMBL10926972 0.81 ALDH1A1 (0.53) SCN4AALDH1A1KDM4ETSHRLMNA
SCHEMBL10693265 0.79 SLC6A4 (0.49) HTR1BALDH1A1KDM4ESCN8ASLC6A4
SCHEMBL10696007 0.79 HTR1B (0.45) HTR1BNOS3NOS1NOS2ALDH1A1
SCHEMBL6928489 0.79 SCN4A (0.53) SCN4AALDH1A1KDM4ETSHRLMNA
SCHEMBL3694800 0.76 ALDH1A1 (0.41) HTR1BALDH1A1KDM4EHSD17B10CYP1A2
SCHEMBL10695350 0.76 ALDH1A1 (0.41) HTR1BALDH1A1KDM4EHSD17B10CYP1A2

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