SCHEMBL10692306

SCHEMBL10692306

CN(C)CCOc1c2ccccc2cc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.60
ABCB11 O95342 1/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
SCN1A P35498 1/20 0.52
SCN2A Q99250 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SCN3A Q9NY46 1/20 0.52
TNKS O95271 1/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HTR7 P34969 4/20 0.46
LTA4H P09960 2/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
KAT2B Q92831 1/20 0.43
HTR1D P28221 1/20 0.43

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 0.91 HTR1B (0.61) HTR1BABCB11LMNACYP1A2CYP2D6
SCHEMBL10695962 0.90 HTR1B (0.62) HTR1BABCB11LMNACYP1A2CYP2D6
SCHEMBL10691295 0.88 HTR1B (0.60) HTR1BABCB11LMNACYP1A2CYP2D6
SCHEMBL10691756 0.88 HTR1B (0.60) HTR1BABCB11LMNACYP1A2CYP2D6
SCHEMBL10692799 0.88 HTR1B (0.60) HTR1BABCB11LMNACYP1A2CYP2D6
SCHEMBL11174797 0.87 HTR1B (0.59) HTR1BLMNACYP1A2CYP2D6SCN1A
Phosphoric Acid SCHEMBL10689634 0.83 HTR1B (0.52) HTR1BABCB11LMNACYP1A2CYP2D6
SCHEMBL7877916 0.82 GPR84 (0.47) HTR1BCYP1A2TDP1ALDH1A1KDM4E
SCHEMBL10693816 0.82 HTR1B (0.51) HTR1BABCB11LMNACYP1A2CYP2D6
SCHEMBL10696158 0.80 HTR1B (0.45) 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 4 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
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