SCHEMBL20220613

SCHEMBL20220613

CC(C)(C)OC(=O)C1CCCN1c1ncc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cn1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 16/20 0.61
▸ DGAT2 Q96PD7 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL16855470 1.00 ADRA1A (0.61) ADRA1ADGAT2TMEM97SIGMAR1
SCHEMBL20312054 0.88 ADRA1A (0.61) ADRA1ADGAT2
SCHEMBL20220518 0.87 ADRA1A (0.80) ADRA1ATMEM97SIGMAR1
SCHEMBL16824536 0.87 ADRA1A (0.80) ADRA1ATMEM97SIGMAR1
Hydrochloric Acid SCHEMBL18186152 0.86 ADRA1A (0.78) ADRA1ATMEM97SIGMAR1
SCHEMBL18744229 0.81 ADRA1A (0.66) ADRA1A
SCHEMBL16846262 0.76 ADRA1A (1.00) ADRA1A
SCHEMBL30823772 0.75 PRMT5 (0.53) ADRA1A
SCHEMBL22418693 0.75 PRMT5 (0.53) ADRA1A
SCHEMBL20052796 0.74 ADRA1A (0.79) ADRA1A

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
EP-3329920-A2 ADRENORECEPTOR ALPHA2C RECEPTOR ANTAGONISTS Bayer Pharma Aktiengesellschaft (DE) 2018-06-06 — — EP disclosed
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