SCHEMBL8294160

SCHEMBL8294160

CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@H]2NC(=O)[C@@H]2C[C@@H](OC(=O)N3CCc4ccccc4C3)CN2C1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.35
▸ PRMT5 O14744 4/20 0.35
▸ WDR77 Q9BQA1 4/20 0.35
▸ BCL2 P10415 1/20 0.34
▸ RAMP1 O60894 3/20 0.34
▸ CALCRL Q16602 3/20 0.34
▸ POLB P06746 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ NAMPT P43490 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ REN P00797 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL13886148 0.95 REN (0.33) DRD2PRMT5WDR77RAMP1CALCRL
SCHEMBL8278256 0.95 REN (0.33) DRD2PRMT5WDR77RAMP1CALCRL
SCHEMBL13896342 0.90 SCN9A (0.32) DRD2ADRB3ADRA2BADRA2C
SCHEMBL8165110 0.89 DDB1 (0.34) ADRB3ADRA2BADRA2C
SCHEMBL13896394 0.89 POLB (0.40) POLBADRB3ADRA2BADRA2CALDH1A1
SCHEMBL12770115 0.89 DDB1 (0.34) ADRB3ADRA2BADRA2C
SCHEMBL8295392 0.89 ALDH1A1 (0.33) POLBADRB3ADRA2BADRA2CALDH1A1
SCHEMBL8278885 0.88 ADRB3 (0.33) PRMT5WDR77POLBADRB3ADRA2B
SCHEMBL3965585 0.86 ADRB3 (0.46) DRD2PRMT5WDR77BCL2RAMP1
SCHEMBL3975388 0.86 ADRB3 (0.46) DRD2PRMT5WDR77BCL2RAMP1

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
WO-2005037214-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION INTERMUNE, INC. (US) 2005-04-28 — — WO disclosed
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