SCHEMBL10693307

SCHEMBL10693307

COc1ccc2c(OCCCCN(C)C)c3ccccc3cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.50
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
TERT O14746 1/20 0.44
HTR2A P28223 1/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
FLT3 P36888 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 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
SCHEMBL10694029 0.91 HTR2A (0.49) HTR1BMAOAMAOBTERTHTR2A
SCHEMBL10695962 0.88 HTR1B (0.62) HTR1BKDM4EALDH1A1CYP1A2
SCHEMBL10691295 0.86 HTR1B (0.60) HTR1BKDM4EALDH1A1CYP1A2
SCHEMBL10692799 0.86 HTR1B (0.60) HTR1BKDM4EALDH1A1CYP1A2
SCHEMBL10691756 0.86 HTR1B (0.60) HTR1BKDM4EALDH1A1CYP1A2
SCHEMBL10688006 0.85 CYP1A2 (0.45) CYP1A2CYP2A6TUBB4ATUBBTUBA3C
SCHEMBL10694673 0.84 CYP1A2 (0.44) HTR1BHTR2ACYP1A2CYP2A6TUBB4A
SCHEMBL10694848 0.83 HTR1B (0.61) HTR1BKDM4EALDH1A1CYP1A2
SCHEMBL10985197 0.81 HTR1B (0.66) HTR1BMAOAMAOBHTR2AKDM4E
SCHEMBL11168474 0.81 HTR1B (0.66) HTR1BMAOAMAOBHTR2AKDM4E

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