SCHEMBL11834066

SCHEMBL11834066

CC(=O)NN1CCN(CCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.62
▸ HTR1A P08908 4/20 0.59
▸ ADRA2A P08913 1/20 0.57
▸ ADRA2B P18089 1/20 0.57
▸ ADRA2C P18825 1/20 0.57
▸ ADRA1D P25100 1/20 0.57
▸ ADRA1A P35348 1/20 0.57
▸ ADRA1B P35368 1/20 0.57
▸ MEN1 O00255 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ HDAC8 Q9BY41 2/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ DRD2 P14416 3/20 0.55
▸ DRD3 P35462 3/20 0.55

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
SCHEMBL11680841 0.86 HTR2A (0.57) HTR2AHTR1AADRA2AADRA2BADRA2C
SCHEMBL11841997 0.86 ADRA2A (0.70) HTR2AHTR1AADRA2AADRA2BADRA2C
SCHEMBL11679349 0.84 MEN1 (0.60) HTR2AHTR1AADRA2AADRA2BADRA2C
SCHEMBL11841817 0.83 ADRA2A (0.60) HTR2AHTR1AADRA2AADRA2BADRA2C
SCHEMBL11865326 0.83 HTR2A (0.56) HTR2AHTR1AADRA2AADRA2BADRA2C
SCHEMBL11844116 0.83 HTR2A (0.56) HTR2AHTR1AADRA2AADRA2BADRA2C
SCHEMBL6465788 0.83 HTR2A (0.88) HTR2AHTR1AADRA2AADRA2BADRA2C
SCHEMBL11848458 0.83 CDK4 (0.59) HTR2AHTR1AADRA2AADRA2BADRA2C
SCHEMBL11681652 0.83 HTR2A (0.53) HTR2AHTR1AADRA2AADRA2BADRA2C
SCHEMBL11860457 0.82 ADRA2A (0.59) HTR2AHTR1AADRA2AADRA2BADRA2C

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