SCHEMBL11849183

SCHEMBL11849183

COc1cc(OC)cc(C(=O)NN2CCN(CCc3c[nH]c4ccccc34)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.58
▸ DRD3 P35462 2/20 0.58
▸ HTR1A P08908 2/20 0.56
▸ HTR1D P28221 2/20 0.53
▸ HTR1B P28222 2/20 0.53
▸ ADRA2A P08913 1/20 0.53
▸ ADRA2B P18089 1/20 0.53
▸ ADRA2C P18825 1/20 0.53
▸ ADRA1D P25100 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ ADRA1B P35368 1/20 0.53
▸ ACHE P22303 1/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL11840912 0.91 DRD2 (0.64) DRD2DRD3HTR1AHTR1DHTR1B
SCHEMBL11843383 0.89 MEN1 (0.52) DRD2DRD3HTR1AHTR1DHTR1B
SCHEMBL11841997 0.86 ADRA2A (0.70) DRD2DRD3HTR1AHTR1DHTR1B
SCHEMBL11843398 0.83 ADRA2A (0.56) HTR1AHTR1DHTR1BADRA2AADRA2B
SCHEMBL11850453 0.83 KMT2A (0.56) DRD2DRD3HTR1AADRA2AADRA2B
SCHEMBL11841817 0.83 ADRA2A (0.60) DRD2DRD3HTR1AHTR1DHTR1B
SCHEMBL11848458 0.82 CDK4 (0.59) DRD2DRD3HTR1AHTR1DHTR1B
SCHEMBL11840670 0.82 SIRT1 (0.61) DRD2DRD3HTR1AHTR1DHTR1B
SCHEMBL11860457 0.82 ADRA2A (0.59) DRD2DRD3HTR1AHTR1DHTR1B
SCHEMBL11841837 0.82 ADRA2A (0.56) DRD2DRD3HTR1AHTR1DHTR1B

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 claimed
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