SCHEMBL537415

SCHEMBL537415

NCC[C@@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.58
PRMT3 O60678 1/20 0.54
CARM1 Q86X55 1/20 0.54
PRMT6 Q96LA8 1/20 0.54
PRMT1 Q99873 1/20 0.54
PRMT8 Q9NR22 1/20 0.54
ACHE P22303 5/20 0.51
BCHE P06276 3/20 0.51
ALDH1A1 P00352 2/20 0.51
BACE1 P56817 1/20 0.51
CXCR4 P61073 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL4621517 1.00 CCR3 (0.58) CCR3PRMT3CARM1PRMT6PRMT1
SCHEMBL5969011 1.00 CCR3 (0.58) CCR3PRMT3CARM1PRMT6PRMT1
SCHEMBL15045173 0.91 CCR3 (0.55) CCR3PRMT3CARM1PRMT6PRMT1
SCHEMBL7514732 0.91 CYP2D6 (0.59) CCR3ACHEBCHEALDH1A1CYP1A2
SCHEMBL544141 0.90 CCR3 (0.67) CCR3PRMT3CARM1PRMT6PRMT1
Hydrochloric Acid SCHEMBL6092095 0.89 CCR3 (0.65) CCR3PRMT3CARM1PRMT6PRMT1
SCHEMBL3074896 0.87 CCR3 (0.62) CCR3PRMT3CARM1PRMT6PRMT1
SCHEMBL242758 0.87 CCR3 (0.62) CCR3PRMT3CARM1PRMT6PRMT1
SCHEMBL1180490 0.87 CCR3 (0.62) CCR3PRMT3CARM1PRMT6PRMT1
SCHEMBL12513916 0.84 CCR3 (0.58) CCR3ACHEBCHEALDH1A1BACE1

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
EP-2414368-A2 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS Achillion Pharmaceuticals, Inc. (US) 2012-02-08 EP disclosed
WO-2010115184-A2 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2010-10-07 WO disclosed