SCHEMBL11836368

SCHEMBL11836368

O=C(NN1CCN(Cc2c[nH]c3ccccc23)CC1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.69
▸ BCHE P06276 1/20 0.64
▸ CYP2D6 P10635 1/20 0.64
▸ HTT P42858 4/20 0.60
▸ ALDH1A1 P00352 4/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ MEN1 O00255 5/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ DRD2 P14416 2/20 0.58
▸ DRD4 P21917 2/20 0.58
▸ DRD3 P35462 2/20 0.58
▸ HTR6 P50406 1/20 0.57
▸ MAPK1 P28482 1/20 0.56
▸ RAB9A P51151 2/20 0.55
▸ JAK2 O60674 1/20 0.55
▸ ADRA2A P08913 1/20 0.54
▸ ADRA2B P18089 1/20 0.54
▸ ADRA2C P18825 1/20 0.54

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 0.88 ADRA2A (0.70) LMNAMEN1KMT2ADRD2DRD4
SCHEMBL11841817 0.81 ADRA2A (0.60) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11840670 0.80 SIRT1 (0.61) LMNACYP2D6KMT2ADRD2DRD4
SCHEMBL11860457 0.80 ADRA2A (0.59) LMNAMEN1KMT2ADRD2DRD4
SCHEMBL11838568 0.80 MAPT (0.65) LMNAHTTALDH1A1SMN1; SMN2MEN1
SCHEMBL8681469 0.79 SIGMAR1 (0.71) LMNABCHECYP2D6HTTALDH1A1
SCHEMBL11848458 0.79 CDK4 (0.59) LMNADRD2DRD4DRD3ADRA2A
SCHEMBL11848772 0.79 TRPV1 (0.62) DRD2DRD4DRD3ADRA2AADRA2B
SCHEMBL7325154 0.78 ADRA2A (0.68) LMNABCHECYP2D6HTTALDH1A1
SCHEMBL11843398 0.78 ADRA2A (0.56) BCHEHTTALDH1A1SMN1; SMN2MEN1

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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