SCHEMBL11844116

SCHEMBL11844116

O=C(NN1CCN(CCc2c[nH]c3ccccc23)CC1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.56
▸ ADRA2A P08913 1/20 0.55
▸ ADRA2B P18089 1/20 0.55
▸ ADRA2C P18825 1/20 0.55
▸ ADRA1D P25100 1/20 0.55
▸ ADRA1A P35348 1/20 0.55
▸ ADRA1B P35368 1/20 0.55
▸ HTR1A P08908 3/20 0.53
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ DRD2 P14416 2/20 0.50
▸ DRD3 P35462 2/20 0.50
▸ DRD1 P21728 1/20 0.50
▸ DRD4 P21917 1/20 0.50
▸ DRD5 P21918 1/20 0.50
▸ HTR7 P34969 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL11841997 0.84 ADRA2A (0.70) HTR2AADRA2AADRA2BADRA2CADRA1D
SCHEMBL11834066 0.83 HTR2A (0.62) HTR2AADRA2AADRA2BADRA2CADRA1D
SCHEMBL11679349 0.82 MEN1 (0.60) HTR2AADRA2AADRA2BADRA2CADRA1D
SCHEMBL11841837 0.80 ADRA2A (0.56) HTR2AADRA2AADRA2BADRA2CADRA1D
SCHEMBL11680841 0.80 HTR2A (0.57) HTR2AADRA2AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL11837443 0.79 ADRA2A (0.56) HTR2AADRA2AADRA2BADRA2CADRA1D
SCHEMBL11841817 0.79 ADRA2A (0.60) HTR2AADRA2AADRA2BADRA2CADRA1D
SCHEMBL11865326 0.79 HTR2A (0.56) HTR2AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6465788 0.79 HTR2A (0.88) HTR2AADRA2AADRA2BADRA2CADRA1D
SCHEMBL11867051 0.78 ADRA2A (0.55) HTR2AADRA2AADRA2BADRA2CADRA1D

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3997539-A HYPOTENSIVE, TRANQUILIZER AMERICAN HOECHST CORPORATION (US) 1976-12-14 — — US disclosed
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